data_1v3f_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 1v3f _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.2 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 1.2 t60 -54.13 -54.47 39.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.01 -20.21 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 62' ' ' LEU . 97.0 mt -81.81 -43.68 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 71' ' ' PHE . 75.4 t -62.92 -49.05 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -48.58 -41.44 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -52.22 57.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.619 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -56.95 -34.7 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.442 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-70 -60.19 -19.96 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -90.21 159.89 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -109.54 -24.5 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -72.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.3 p -90.44 -13.18 35.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.54 -166.85 30.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -74.32 179.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -151.24 91.46 3.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.439 1.757 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.421 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 9.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 46.5 p90 -123.14 139.6 53.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.98 145.56 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.76 -44.54 48.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -63.78 -35.97 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -40.6 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 4.7 tp -72.0 -55.39 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 72.6 t -47.49 -60.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.76 -43.27 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.8 t90 -57.09 -66.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.6 mt -38.01 -47.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mt -65.38 -56.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 t -53.6 -27.94 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -78.07 -14.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.027 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.4 t-20 82.91 20.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 19.9 m-85 -91.6 -18.33 24.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 58' ' ' GLU . . . -135.85 157.54 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.71 -35.6 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.6 t -141.3 160.88 39.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -38.9 -36.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -58.46 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.519 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 30.8 mt-10 -42.15 -33.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -78.44 -44.54 24.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 42.5 t -53.15 -45.0 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -43.09 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.43 -36.59 76.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.26 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -57.79 -26.16 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -40.27 74.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 12.5 mt -64.72 -46.07 83.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 10.8 mtm -54.51 -39.61 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.44 -12.29 9.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 5.4 t-20 85.9 32.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.7 m-85 -99.64 -31.41 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.93 171.5 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.81 153.3 28.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.443 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 23.6 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.51 0.195 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.12 164.85 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -123.12 73.94 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.42 -169.53 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 m -89.7 -43.63 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 p -53.17 -59.8 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.03 133.16 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 1.5 mt -126.33 166.49 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 76.2 m-85 -161.6 147.88 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.449 HG21 ' NE ' ' A' ' 73' ' ' ARG . 11.7 t -132.15 163.84 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.407 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.6 m-85 -75.18 136.34 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.524 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 8.8 m170 -57.61 -48.51 79.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.8 -25.94 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 52' ' ' PHE . 55.5 mt -76.54 -46.21 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG23 ' CD1' ' A' ' 71' ' ' PHE . 95.3 t -58.04 -49.98 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.18 -46.15 54.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.33 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.606 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.4 mmm -55.54 -38.16 68.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.1 -24.36 58.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.53 164.36 23.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -115.65 -35.51 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -62.94 -58.9 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.5 p -104.15 -19.62 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.93 -170.37 17.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.03 177.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -151.85 92.79 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 19.4 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 34.2 p90 -126.72 134.55 50.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.6 mt -51.76 149.44 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.42 91.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.6 t -65.16 -38.05 89.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.9 -44.72 70.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.26 -58.41 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.87 -65.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -48.18 -48.84 34.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.606 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.3 t90 -52.31 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' TRP . 21.0 mt -39.12 -46.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.17 -51.78 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' TRP . 13.7 t -60.76 -26.99 67.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 2.3 m -76.27 -0.83 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.944 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.63 20.11 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 11' ' ' ILE . 15.7 m-30 -92.5 -20.15 21.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -133.68 159.15 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.13 -34.15 9.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.37 161.77 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -36.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -59.17 -67.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 32.6 mt-10 -43.5 -33.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.62 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 34.1 t -55.82 -43.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -40.09 68.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.38 -36.51 80.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.75 -58.27 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -53.64 -29.91 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -46.61 73.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 6.3 mt -59.5 -44.48 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.458 ' CG ' ' CD1' ' A' ' 72' ' ' LEU . 20.3 mtm -57.51 -41.57 81.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.51 93.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -63.65 -9.67 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-20 85.27 25.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.3 m-85 -95.48 -12.22 26.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -162.66 170.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.515 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.48 148.28 23.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE2' ' CZ ' ' A' ' 100' ' ' TYR . 25.9 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.1 mt -107.15 171.35 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -136.19 71.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.86 162.15 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . 64.3 p -55.36 -56.78 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.4 p -37.21 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.46 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 3.6 mt -133.75 169.61 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CZ ' ' CE2' ' A' ' 92' ' ' PHE . 70.9 m-85 -166.06 142.38 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.433 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 14.1 t -126.66 178.63 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.5 m-85 -87.97 135.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.515 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -56.13 18.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.57 -20.72 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.508 HG22 ' CD2' ' A' ' 52' ' ' PHE . 52.3 mt -80.59 -44.32 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG22 ' CG ' ' A' ' 71' ' ' PHE . 66.2 t -63.2 -48.64 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -48.37 -51.12 27.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -56.44 -51.0 70.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.0 mtp -59.67 -23.53 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.11 -12.48 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -112.7 -5.37 13.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -88.38 0.7 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.07 -172.57 38.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.14 179.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -147.33 90.42 5.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 12.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -126.08 133.17 51.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -45.85 159.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -72.81 -30.07 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -74.86 -37.2 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -47.73 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 47' ' ' LEU . 4.9 tp -59.77 -57.29 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 46.1 t -45.14 -71.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.8 -48.19 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.5 t90 -52.92 -66.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 43' ' ' LEU . 14.4 mt -38.14 -53.0 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 56' ' ' ARG . 55.7 mt -57.75 -55.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -53.81 -34.71 60.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -75.6 -4.41 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.6 t30 73.01 20.55 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.5 m-30 -91.31 -17.47 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.51 153.2 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.17 -44.07 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 p -139.13 163.84 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' CD ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -40.66 -31.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -64.13 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -43.93 -41.16 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 44' ' ' VAL . . . -64.59 -42.33 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.9 t -59.15 -42.33 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -44.83 64.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -57.49 -30.46 65.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.17 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -52.12 -28.18 16.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.32 -42.98 78.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CB ' HD23 ' A' ' 72' ' ' LEU . 6.7 mt -64.24 -48.49 75.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.467 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 13.3 mtm -53.4 -42.48 67.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -47.46 80.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 9.1 mm-40 -59.54 -12.8 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 86.16 33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.3 m-85 -101.03 -22.65 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.66 173.27 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.512 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -149.97 149.68 28.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 24.2 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.521 0.2 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.0 163.49 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.44 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.97 179.16 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 m -70.14 -46.71 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.3 p -49.97 -69.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -39.8 133.8 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.79 160.1 35.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -154.31 137.08 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.439 HG23 ' NE ' ' A' ' 73' ' ' ARG . 12.4 t -117.56 165.27 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 32.0 m-85 -77.57 135.49 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.512 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -61.05 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.52 -21.31 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.482 HG22 ' CE2' ' A' ' 52' ' ' PHE . 76.1 mt -78.51 -43.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 71' ' ' PHE . 35.1 t -65.06 -49.76 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -42.43 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.604 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.4 mmm -54.76 -30.91 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -64.63 -25.8 68.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.03 156.89 33.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -109.01 -11.67 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -97.57 -63.86 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 p -91.49 -5.6 53.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.66 -168.32 39.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.07 179.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -151.96 92.65 3.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 38.8 p90 -127.85 128.32 45.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -40.36 150.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.99 -33.2 83.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -71.73 -34.47 69.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -56.58 -50.52 71.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -57.83 -47.78 81.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 48.9 t -53.5 -68.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.41 -34.8 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.8 t90 -64.67 -64.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.8 mt -39.76 -50.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 56' ' ' ARG . 56.7 mt -58.99 -57.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -54.12 -28.75 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.68 5.04 19.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.78 21.94 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 14.8 m-30 -93.23 -15.29 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.86 158.29 44.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.75 -36.73 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 158.94 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.403 ' N ' HD11 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -38.53 -37.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -59.03 -67.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -42.38 -42.74 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -63.94 -42.49 97.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 25.5 t -60.1 -40.58 83.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -73.84 -40.81 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.41 -28.56 69.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -67.98 -60.46 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -52.26 -33.66 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -37.16 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 5.6 mt -72.27 -44.83 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 8.7 mtm -58.39 -36.44 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -45.85 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.81 -11.51 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.1 t-20 86.23 24.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -89.61 -29.32 18.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.18 173.2 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -154.29 155.47 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 34.6 t80 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.515 0.197 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mt -132.18 171.16 14.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -133.74 68.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -169.99 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -102.35 15.97 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -118.68 -36.17 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.51 84.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 4.0 mm? -72.36 168.94 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 69.7 m-85 -164.79 137.68 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.451 HG21 ' NE ' ' A' ' 73' ' ' ARG . 13.8 t -126.95 163.37 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.98 132.96 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.533 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -50.24 -26.67 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 1.1 tpp180 -84.71 -38.99 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.582 HG12 ' CD2' ' A' ' 52' ' ' PHE . 3.1 mt -64.11 -51.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.542 HG23 ' CG ' ' A' ' 71' ' ' PHE . 53.1 t -55.1 -49.72 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -40.4 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -84.81 -53.09 5.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 mtm -58.43 -21.52 51.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.44 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 1.5 m-70 -71.38 -17.52 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -90.96 159.77 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 t -118.87 -0.25 11.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.4 m -102.45 -46.58 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 p -117.56 4.43 12.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.62 -161.27 26.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tt -72.49 178.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -145.09 90.37 6.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.433 ' CG2' ' HB ' ' A' ' 101' ' ' THR . 10.8 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 30.1 p90 -124.58 148.09 48.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.33 152.0 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.56 -29.76 74.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -76.22 -32.28 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -57.89 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 47' ' ' LEU . 6.7 tp -51.75 -49.12 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' CD ' ' A' ' 56' ' ' ARG . 11.8 t -54.43 -77.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -40.38 -39.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 15' ' ' MET . 82.1 t90 -61.18 -67.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.038 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 43' ' ' LEU . 22.4 mt -39.18 -47.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 56' ' ' ARG . 56.9 mt -61.36 -61.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 t -52.74 -31.71 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.604 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.9 t -73.88 -14.87 61.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' SER . 51.2 t30 83.64 18.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.0 m-30 -93.35 -14.88 26.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.35 152.86 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.92 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 172.61 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' CD ' HG11 ' A' ' 44' ' ' VAL . 23.7 mmt180 -48.32 -34.0 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -61.47 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.3 -42.34 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 44' ' ' VAL . . . -63.87 -42.27 97.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LEU . 39.5 t -59.96 -41.45 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -73.45 -42.28 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.26 -28.79 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.94 -57.19 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -53.66 -23.85 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -47.45 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 9.9 mt -58.94 -42.75 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 12.9 mtm -58.22 -37.41 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -45.96 81.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.605 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.3 mm-40 -62.08 -11.67 15.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-20 85.96 29.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.8 m-85 -95.74 -26.87 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.92 167.39 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.48 150.45 28.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.431 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.705 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 30.9 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 98' ' ' ALA . 11.2 mt -111.29 166.95 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.405 ' OD1' ' CG1' ' A' ' 44' ' ' VAL . 7.3 t70 -128.97 69.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.0 177.71 8.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -24.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ALA . 46.2 p -69.84 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 93' ' ' LEU . . . -40.28 133.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 5.7 mt -129.78 168.09 17.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.705 ' CE2' ' CE2' ' A' ' 92' ' ' PHE . 99.3 m-85 -163.48 168.21 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.449 HG22 ' NE ' ' A' ' 73' ' ' ARG . 14.2 t -152.3 164.13 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -80.44 134.87 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -57.21 -45.24 84.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.78 -21.18 66.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 52' ' ' PHE . 89.9 mt -82.12 -41.63 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 16' ' ' HIS . 96.1 t -60.67 -43.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.33 -52.56 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 tttt -55.7 -50.8 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.9 mmm -54.66 -41.71 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.578 ' CD2' HG11 ' A' ' 12' ' ' VAL . 42.2 m-70 -53.97 -33.21 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.04 165.22 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -115.17 -31.85 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -73.48 -58.28 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 p -98.14 -14.26 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -79.3 -171.52 41.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.78 -178.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -153.05 92.31 3.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 24.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 39.8 p90 -123.6 141.09 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.64 148.09 47.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.68 -36.57 65.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -67.86 -36.77 80.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -48.83 80.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.58 -53.85 52.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 30.2 t -47.11 -70.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.97 -46.47 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 90.3 t90 -54.09 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.8 mt -43.42 -53.92 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 56' ' ' ARG . 65.0 mt -56.1 -59.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -53.92 -27.28 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -82.95 7.84 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.13 18.26 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 11' ' ' ILE . 17.2 m-30 -90.53 -16.99 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.79 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.04 -37.46 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.63 161.11 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' N ' HD11 ' A' ' 48' ' ' ILE . 2.2 mpt_? -39.52 -38.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -57.98 -66.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -40.79 -45.28 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -60.78 -44.53 96.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 94' ' ' ASP . 30.9 t -58.39 -40.19 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -41.11 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -34.5 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -64.15 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.82 -46.42 41.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -50.81 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 4.8 mt -55.07 -48.41 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.434 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 14.2 mtm -53.82 -37.78 63.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -42.49 92.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.621 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mt-10 -68.28 -5.7 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER 81.16 20.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -86.61 -16.59 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -159.15 173.15 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.526 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.09 156.41 32.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 93' ' ' LEU . 11.7 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.496 0.188 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -93.25 176.82 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 7.1 t70 -134.98 71.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.74 169.12 18.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 p -63.09 -56.59 15.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.6 p -43.59 -68.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -39.89 109.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 3.1 mt -101.53 165.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 95.6 m-85 -161.07 137.82 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.436 HG22 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -122.97 176.29 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.441 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 20.8 m-85 -82.6 133.95 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.526 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 71.7 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 1.8 t60 -61.08 -55.93 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.99 -22.51 64.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 94.6 mt -79.27 -42.04 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.521 HG21 ' CG ' ' A' ' 71' ' ' PHE . 65.1 t -62.32 -42.42 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -55.37 -52.99 61.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -55.22 26.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.1 mtp -49.36 -49.02 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -45.34 -35.47 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD2' ' N ' ' A' ' 19' ' ' SER . 10.5 t70 -69.8 163.87 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.88 -28.07 7.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -68.75 -63.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -101.13 -16.64 16.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.1 -159.75 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.31 155.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -126.0 88.95 53.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' A' ' 99' ' ' LEU . 2.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.425 ' N ' HD13 ' A' ' 99' ' ' LEU . 18.1 p90 -130.97 124.36 30.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.51 157.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -27.36 69.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -74.1 -40.21 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -46.46 75.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 47' ' ' LEU . 4.8 tp -61.99 -59.07 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 28.0 t -44.08 -72.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -41.91 -54.44 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 85.4 t90 -46.81 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 43' ' ' LEU . 24.9 mt -35.62 -56.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mt -55.18 -53.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -55.95 -33.99 65.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.055 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 2.5 m -78.28 -7.33 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' SER . 41.2 t30 77.1 20.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 13.2 m-85 -88.8 -19.28 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.91 152.72 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.92 -42.07 12.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -138.49 165.62 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -43.93 -34.93 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -61.32 -64.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -43.45 -42.48 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 44' ' ' VAL . . . -63.67 -42.83 98.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 57' ' ' LEU . 32.0 t -59.19 -38.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -41.0 62.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -29.03 70.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.58 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -71.08 -58.9 3.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 p -51.57 -31.11 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.44 87.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.9 mt -66.64 -47.82 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.438 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 23.6 mtm -54.81 -40.24 69.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.62 82.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mm-40 -62.55 -10.51 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-20 83.86 36.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.0 m-85 -103.54 -23.1 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.67 173.58 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -151.11 155.74 34.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.438 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 63' ' ' ALA . 29.9 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.521 0.201 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.26 159.24 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 94' ' ' ASP . 3.6 t0 -116.92 75.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.25 177.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.3 p -74.96 -51.38 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.3 p -48.54 -59.68 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 113.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.488 ' CD1' ' HB ' ' A' ' 37' ' ' THR . 42.6 tp -115.14 155.0 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.3 m-85 -143.08 141.79 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.487 HG21 ' CD ' ' A' ' 73' ' ' ARG . 10.2 t -122.33 176.3 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.06 132.15 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.503 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 88.7 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.33 74.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.91 -22.58 59.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' CD2' ' A' ' 62' ' ' LEU . 79.6 mt -79.7 -44.87 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' ' 16' ' ' HIS . 74.1 t -59.26 -49.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.55 -45.34 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.625 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.6 mmm -58.88 -26.91 64.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' CD2' HG11 ' A' ' 12' ' ' VAL . 43.4 m-70 -70.43 -7.91 46.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.31 160.6 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -111.88 -26.92 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -63.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -103.22 -13.73 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.73 -179.55 52.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -152.55 92.16 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 16.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -126.86 130.94 51.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.6 mt -43.16 157.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.38 -37.15 90.17 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -71.47 -37.2 71.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -46.88 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.8 tp -61.93 -59.91 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 85.7 t -43.04 -66.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -47.64 -46.77 29.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.625 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.2 t90 -55.43 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' TRP . 15.7 mt -38.01 -38.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt -70.15 -54.43 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' TRP . 22.7 t -58.74 -30.03 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 3.1 m -70.23 -14.56 62.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' SER . 29.8 t30 81.81 18.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 22.8 m-30 -91.68 -22.71 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -131.69 160.58 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.92 -34.39 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.2 t -140.06 158.92 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER -38.62 -34.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -61.06 -68.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 28.8 mt-10 -42.63 -31.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -80.69 -44.0 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 40.3 t -54.08 -43.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -40.0 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.56 -35.47 76.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -66.39 -58.65 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -51.92 -29.84 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -50.13 55.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 6.7 mt -57.95 -45.66 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.413 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 17.3 mtm -56.11 -42.61 77.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -41.93 96.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.2 mm-40 -64.96 -8.08 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 5.1 t-20 83.54 20.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 21.5 m-85 -89.39 -14.2 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -161.52 173.21 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -151.91 149.58 23.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 27.5 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.502 0.191 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -95.9 176.97 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.18 71.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.92 166.02 25.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.4 m -66.08 -49.82 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 98' ' ' ALA . 1.9 p -46.64 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -40.33 134.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.68 164.74 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.6 m-85 -151.13 139.06 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.48 HG22 ' CD ' ' A' ' 73' ' ' ARG . 14.7 t -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.45 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 17.6 m-85 -86.07 134.82 33.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -51.0 60.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -63.64 -22.05 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 53.4 mt -79.73 -43.73 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 71' ' ' PHE . 73.3 t -61.56 -46.38 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -52.52 -48.75 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -48.87 78.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.5 mtp -62.59 -30.98 71.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.507 ' CD2' HG13 ' A' ' 12' ' ' VAL . 5.3 m-70 -61.08 -19.45 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -90.86 155.57 18.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -109.0 -15.8 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -72.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -93.0 -11.4 33.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.46 -154.03 8.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.44 1.087 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.83 -179.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -150.44 92.27 4.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.964 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 46.5 p90 -106.25 129.56 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 99' ' ' LEU . 15.1 mt -49.29 144.85 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -57.44 -38.58 87.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -43.61 77.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.0 -56.73 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 87.4 t -47.6 -61.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.5 -43.11 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 91.6 t90 -59.67 -67.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' TRP . 18.5 mt -37.35 -47.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.15 -58.51 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -53.62 -30.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.2 m -73.66 -13.16 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.7 t30 81.5 20.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -90.52 -23.6 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -131.66 158.52 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.31 -34.77 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' ARG . 3.2 t -141.81 159.35 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -38.46 -33.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -62.54 -69.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 29.1 mt-10 -41.38 -33.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -79.07 -45.35 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 29.9 t -52.5 -45.58 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.74 69.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.09 -41.23 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.57 -58.24 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 p -52.63 -36.32 56.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 2.0 mtm -60.13 -52.92 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 11.6 mt -49.98 -46.55 52.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.44 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 15.6 mtm -55.44 -41.23 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.68 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 71' ' ' PHE . 14.8 mp0 -58.53 -14.89 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t30 88.37 39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' A' ' 69' ' ' GLU . 21.5 m-85 -100.39 -21.26 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.22 174.24 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.506 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -152.86 156.88 33.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.511 1.796 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 46.9 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.466 0.174 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 2.8 mt -116.86 166.69 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 7.4 t70 -130.54 71.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.05 -172.7 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.5 p -97.76 16.91 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 p -119.42 -39.33 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -68.04 84.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 3.9 mm? -74.26 171.63 13.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 60.3 m-85 -165.67 140.44 4.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.438 HG21 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -126.56 165.94 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 26.7 m-85 -79.42 135.08 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.506 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.05 -37.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.402 ' CD ' ' C ' ' A' ' 10' ' ' ARG . 2.0 tpp180 -71.38 -46.23 60.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 52' ' ' PHE . 6.2 mt -59.33 -50.26 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 71' ' ' PHE . 65.0 t -50.61 -51.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.8 -36.65 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -51.09 20.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.608 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 2.6 mmm -60.04 -28.67 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 12' ' ' VAL . 1.8 m-70 -66.04 -18.63 65.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 18' ' ' THR . 8.5 t0 -92.1 160.7 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 13.7 t -110.86 -18.65 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -76.57 -69.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -97.52 -3.31 40.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.68 -167.64 43.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.44 179.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -149.06 91.14 4.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.414 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 21.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 45.9 p90 -132.5 133.49 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 99' ' ' LEU . 23.9 mt -50.36 150.91 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.18 -41.31 96.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -65.9 -38.63 89.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -51.66 -47.31 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.2 tp -62.1 -58.25 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 88.4 t -46.18 -61.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.45 -49.35 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.608 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.5 t90 -54.78 -65.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 107.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' TRP . 12.1 mt -38.6 -48.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.99 -57.26 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.8 t -53.62 -28.88 35.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 68.6 m -76.47 -12.8 60.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.4 t30 81.07 19.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.0 m-85 -89.56 -21.86 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -134.32 160.62 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . . . -102.37 -35.07 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.58 156.36 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.26 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER -65.0 -67.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 24.1 mt-10 -42.37 -39.91 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -69.7 -45.85 67.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 56' ' ' ARG . 40.7 t -53.07 -46.02 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -42.61 88.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -61.71 -37.77 85.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.565 ' HB1' ' CD2' ' A' ' 92' ' ' PHE . . . -60.92 -60.85 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -49.4 -41.18 38.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -48.36 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 8.0 mt -60.01 -45.97 91.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 18.2 mtm -57.09 -40.89 77.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -44.68 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.603 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.4 mm-40 -61.78 -11.38 12.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 8.1 t-20 86.75 23.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -91.32 -20.06 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -155.05 174.05 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.497 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.12 152.36 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.422 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' HB1' ' A' ' 63' ' ' ALA . 31.7 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.26 167.07 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.9 66.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.26 165.55 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' THR . 75.5 m -61.17 -58.36 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' SER . 80.6 p -38.74 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.37 129.57 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -120.2 172.31 7.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 94.7 m-85 -163.39 139.85 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.468 HG23 ' CD ' ' A' ' 73' ' ' ARG . 13.6 t -122.57 174.25 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.3 m-85 -84.4 134.91 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.497 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 66' ' ' LEU . 75.6 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -68.15 -55.98 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.633 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -64.19 -21.19 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 62' ' ' LEU . 96.8 mt -79.27 -40.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CD2' ' A' ' 16' ' ' HIS . 43.4 t -64.71 -36.82 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.44 -47.36 82.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.2 mtp -62.23 -32.97 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CD2' HG12 ' A' ' 12' ' ' VAL . 9.0 m-70 -60.19 -21.59 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -87.55 168.72 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -119.93 -37.92 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 m -59.34 -52.92 63.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.7 p -110.51 -19.74 12.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.57 -155.81 1.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -86.93 176.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -149.06 91.84 4.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CE1' ' O ' ' A' ' 100' ' ' TYR . 6.8 p90 -133.98 133.68 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.54 151.32 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.35 82.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -70.74 -36.27 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -37.72 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.69 -54.61 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 44.9 t -48.11 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.16 -44.1 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.596 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.3 t90 -57.89 -67.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' TRP . 18.7 mt -37.76 -47.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.86 -53.16 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' TRP . 16.8 t -60.71 -30.86 70.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.2 t -69.79 -15.04 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.0 t30 81.86 18.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.8 m-30 -91.44 -23.09 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 58' ' ' GLU . . . -130.64 160.0 35.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.75 -34.02 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' ARG . 4.3 t -141.6 158.77 43.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 6.1 mpt_? -38.58 -34.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.14 -67.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 29.7 mt-10 -43.18 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -77.95 -45.43 23.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 56' ' ' ARG . 53.5 t -52.48 -44.21 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -41.38 72.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -56.85 -38.38 72.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . . . -62.77 -59.8 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 p -53.74 -33.39 55.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -44.37 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 11.8 mt -62.37 -43.41 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.455 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 20.5 mtm -57.95 -38.55 76.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.85 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 2.8 mm-40 -63.84 -10.99 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t30 83.78 36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -97.71 -26.29 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.47 174.62 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.9 157.28 32.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 37.5 t80 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.476 0.179 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 8.1 mt -129.85 176.34 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -139.46 68.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.72 -165.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 m -99.93 -20.46 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -79.41 -36.92 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 120.72 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.25 158.32 17.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 92' ' ' PHE . 91.4 m-85 -156.62 137.64 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.477 HG22 ' CD ' ' A' ' 73' ' ' ARG . 14.8 t -124.24 174.24 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 38.2 m-85 -83.48 133.9 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.507 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -47.05 -29.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -82.28 -44.3 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.534 HG12 ' CG ' ' A' ' 52' ' ' PHE . 22.6 mt -64.06 -56.89 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' A' ' 71' ' ' PHE . 82.3 t -43.74 -56.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.0 -47.19 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -63.01 -55.22 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 29.3 mtp -54.01 -25.34 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CD2' HG13 ' A' ' 12' ' ' VAL . 3.3 m-70 -70.01 -17.19 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.569 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.95 160.98 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -112.11 -9.15 13.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.438 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -84.43 -81.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.1 p -87.99 -12.29 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.03 -150.51 6.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -87.52 157.28 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -128.62 89.18 50.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.429 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 25.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.647 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 37.0 p90 -133.75 135.71 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 96' ' ' SER . 30.0 mt -53.8 158.17 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 44' ' ' VAL . . . -69.87 -32.16 70.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -35.02 67.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -51.75 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.647 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.06 -62.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 48.9 t -37.21 -60.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -53.18 -49.66 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 74.7 t90 -50.97 -60.51 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 43' ' ' LEU . 6.6 mt -39.28 -42.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 56' ' ' ARG . 21.4 mt -67.23 -61.27 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -53.27 -25.82 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.589 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.5 t -75.05 -13.94 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.3 t-20 82.17 18.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -97.27 -13.57 21.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 154.04 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.03 -29.85 16.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 167.96 28.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' N ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -43.69 -31.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.322 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -64.84 -68.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -39.63 -44.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -60.85 -47.09 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 20.7 t -54.15 -37.23 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -77.12 -41.42 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.34 -36.24 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 43' ' ' LEU . . . -66.55 -57.95 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -53.94 -32.32 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -39.17 93.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 3.3 mt -67.11 -44.37 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.436 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 8.6 mtm -57.52 -37.73 73.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -46.48 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.605 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mm-40 -61.42 -12.08 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 44.4 t30 86.86 28.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -94.83 -21.2 18.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.46 171.02 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.18 153.28 29.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.418 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 27.2 t80 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.503 0.192 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -136.38 168.31 19.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -137.93 76.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.82 -170.92 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.458 ' O ' ' CD2' ' A' ' 39' ' ' LEU . 4.0 m -92.4 -36.81 12.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -65.47 -27.82 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.8 117.3 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 1.4 mt -106.65 173.75 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 70.0 m-85 -165.09 141.73 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.47 HG22 ' CD ' ' A' ' 73' ' ' ARG . 14.7 t -129.47 163.16 26.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.35 131.23 36.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 77.8 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -74.4 -45.09 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.636 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.13 -24.89 65.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 110.275 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.559 HG12 ' CD2' ' A' ' 52' ' ' PHE . 85.7 mt -79.18 -46.8 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 8' ' ' LEU . 90.1 t -60.31 -49.83 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.35 -44.69 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 2.4 tttt -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.609 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 33.8 mtp -61.36 -19.31 61.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.87 -10.94 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -101.03 164.21 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -113.09 -30.99 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -68.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -101.14 -21.22 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 14' ' ' LYS . . . -71.94 -152.69 1.46 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.513 HD11 ' CG ' ' A' ' 46' ' ' TRP . 1.2 tp -84.49 162.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -132.4 88.39 39.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.417 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.417 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 1.8 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 41.7 p90 -115.85 135.22 54.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.1 mt -55.01 145.47 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.512 ' O ' ' CG2' ' A' ' 44' ' ' VAL . . . -58.15 -33.98 71.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -28.14 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -52.73 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.644 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -64.74 -58.96 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 40' ' ' GLY . 54.8 t -39.17 -55.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 76.0 t90 -52.54 -59.27 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 43' ' ' LEU . 7.2 mt -40.42 -44.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 56' ' ' ARG . 36.2 mt -62.8 -61.16 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -53.32 -27.25 22.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.7 m -74.7 -14.37 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' SER . 3.8 t-20 81.26 19.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 21.7 m-85 -96.93 -13.76 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.88 156.39 48.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.6 -42.95 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.2 p -142.11 162.99 34.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' HD13 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -38.72 -35.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -42.45 -45.45 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -61.51 -45.18 95.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.0 t -56.63 -37.98 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -73.87 -40.04 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.79 -35.87 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.23 -58.83 5.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -52.03 -35.3 46.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -38.98 93.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 12' ' ' VAL . 9.2 mt -68.32 -46.57 69.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.403 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 4.5 mtm -54.03 -36.14 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -47.55 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.2 mm-40 -61.56 -12.21 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 84.9 38.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -104.33 -26.45 12.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.25 169.45 18.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -137.95 155.34 74.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.483 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 100' ' ' TYR . 11.6 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.492 0.187 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -93.94 161.4 14.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 2.1 t70 -123.2 77.78 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.85 -174.76 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 m -83.61 -36.75 23.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 17.3 p -62.72 -68.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.08 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.4 139.03 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 92' ' ' PHE . 69.8 m-85 -128.85 141.95 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 73' ' ' ARG . 13.6 t -124.71 173.6 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 10.5 m-85 -88.9 128.62 35.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.16 -31.01 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.566 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.99 -40.61 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.547 HG12 ' CD2' ' A' ' 52' ' ' PHE . 8.0 mt -65.07 -55.88 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 16' ' ' HIS . 61.3 t -41.82 -55.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -45.84 -53.03 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -50.87 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.573 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 21.5 mtp -57.92 -38.16 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.578 ' CD2' HG11 ' A' ' 12' ' ' VAL . 3.4 m-70 -55.12 -20.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.04 161.32 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -111.36 -24.41 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 -66.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 p -92.07 -5.85 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.37 -164.27 38.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' HD3' ' A' ' 24' ' ' PRO . 1.9 tt -73.95 177.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 71.23 71.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HD3' ' CG2' ' A' ' 22' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 100' ' ' TYR . 54.6 p90 -114.35 132.68 56.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 99' ' ' LEU . 20.6 mt -53.79 158.1 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.9 -32.44 77.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -34.34 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -47.84 83.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 8.3 tp -60.19 -50.59 73.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 HG13 ' CB ' ' A' ' 59' ' ' ALA . 38.1 t -51.05 -73.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.21 -42.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.7 t90 -61.53 -67.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.3 mt -37.79 -47.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.54 -57.31 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -54.2 -28.63 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 67.4 m -79.29 -13.27 59.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 24.3 t-20 81.13 21.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -91.24 -21.43 21.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.81 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.89 -37.29 9.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.9 159.05 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.85 -34.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -61.69 -67.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -41.34 -44.28 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 44' ' ' VAL . . . -62.62 -44.2 96.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.8 t -57.94 -40.45 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.56 -41.89 65.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.65 -29.61 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.578 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -70.89 -59.04 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 p -54.11 -34.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -36.97 82.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 4.0 mt -69.58 -49.21 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.46 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 17.4 mtm -54.31 -40.37 67.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -48.47 73.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.6 mm-40 -60.62 -12.61 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 85.83 41.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -108.56 -23.79 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.4 172.87 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.516 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -152.85 155.05 32.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 43.8 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.501 0.191 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.48 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 9.4 mt -126.32 164.03 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -129.07 65.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.04 -175.24 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m -72.79 -35.42 67.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 76.0 p -84.73 73.81 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -175.98 75.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.562 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 2.0 mm? -68.82 166.17 18.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 44.2 m-85 -168.42 138.44 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.471 HG21 ' CD ' ' A' ' 73' ' ' ARG . 13.9 t -129.31 163.68 25.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -77.91 129.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.496 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 82.4 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -72.62 -52.18 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.638 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.48 -29.4 70.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.486 HG12 ' CG ' ' A' ' 52' ' ' PHE . 94.4 mt -73.61 -50.47 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 16' ' ' HIS . 85.5 t -56.74 -46.5 83.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.58 -47.88 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -60.33 -42.73 96.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 34.3 mtp -67.78 -26.55 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' CD2' HG11 ' A' ' 12' ' ' VAL . 2.6 m-70 -65.58 -12.68 55.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.98 167.09 11.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -113.95 -30.03 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -66.37 -69.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -100.61 4.63 43.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.39 170.73 19.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 3.1 tp -40.23 156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -130.25 88.77 46.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.434 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 2.3 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 26.2 p90 -121.84 130.09 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.0 mt -44.35 157.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.04 63.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -36.07 76.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.16 94.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.628 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -62.45 -70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 43' ' ' LEU . 2.6 t -31.9 -66.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 44' ' ' VAL . 9.1 t0 -41.94 -56.74 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 86.9 t90 -46.85 -62.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.02 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD1' HD22 ' A' ' 43' ' ' LEU . 7.7 mt -39.75 -42.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' ' 56' ' ' ARG . 30.7 mt -68.1 -58.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -52.56 -30.47 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 24.4 m -72.9 -13.26 61.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' SER . 49.6 t30 80.06 20.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 20.7 m-85 -94.63 -15.98 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.22 49.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.84 -31.7 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.9 165.61 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' N ' HD13 ' A' ' 48' ' ' ILE . 2.7 mpt_? -41.67 -33.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -63.21 -69.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -39.12 -45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' CB ' HG13 ' A' ' 44' ' ' VAL . . . -61.33 -48.61 80.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 24.7 t -51.66 -38.35 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.27 -40.91 42.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.56 -32.23 73.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -69.1 -58.69 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 p -54.93 -31.34 60.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.16 86.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.504 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.7 mt -68.68 -50.21 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 8.0 mtm -50.08 -35.94 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -45.44 65.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.3 mm-40 -61.26 -11.99 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 21.7 t30 86.93 31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.6 m-85 -98.24 -31.78 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.52 170.98 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.476 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -152.71 149.88 23.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 50.4 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.533 0.206 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -112.86 163.29 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.7 69.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.43 176.19 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -69.39 -46.45 66.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 98' ' ' ALA . 33.5 p -53.21 -71.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -38.83 126.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.434 ' CD2' ' HB ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -121.62 167.15 13.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.442 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 72.8 m-85 -159.92 143.8 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 15.1 t -124.6 -172.38 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -103.35 132.4 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -44.08 69.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.1 -23.76 66.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.505 HG22 ' CE2' ' A' ' 52' ' ' PHE . 70.1 mt -77.82 -43.04 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 71' ' ' PHE . 77.6 t -64.03 -43.12 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -55.75 -44.32 77.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -61.65 -43.16 99.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.598 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -66.73 -30.52 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -61.23 -19.13 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.654 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -89.7 165.75 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -112.65 -40.77 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 m -60.09 -67.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.6 p -90.71 -24.36 20.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -67.91 -163.53 2.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.82 178.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -153.34 92.54 3.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.018 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -127.55 128.24 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PHE . 20.6 mt -39.92 144.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.39 -36.42 91.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -67.98 -42.03 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -50.36 -44.03 54.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.3 tp -64.55 -54.69 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 63.2 t -47.5 -67.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -47.43 -46.55 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.1 t90 -53.43 -64.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 32.4 mt -41.64 -52.24 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.7 -66.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -56.7 -28.77 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -62.84 -13.77 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.1 t30 80.74 10.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 5.2 m-30 -92.1 -16.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 58' ' ' GLU . . . -140.2 159.1 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.61 -31.77 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 162.67 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 2.9 mtp180 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -56.2 -70.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 15.1 mt-10 -43.39 -38.08 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.53 -49.88 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 57' ' ' LEU . 4.3 t -42.11 -48.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -65.72 -48.69 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.518 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mm? -45.47 -33.36 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -72.04 -57.61 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -55.08 -28.99 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.34 -42.95 78.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 11.0 mt -68.38 -44.03 76.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 8.3 mtm -58.8 -38.15 77.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.32 74.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 73.1 mm-40 -63.46 -10.09 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t30 84.3 34.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.4 m-85 -103.34 -6.13 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -168.73 165.03 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.582 ' CD ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -147.2 153.81 45.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 39.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.501 0.191 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 5.6 mt -117.74 -177.17 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.67 71.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.58 -179.31 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.8 p -93.39 21.25 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 99' ' ' LEU . 23.7 p -125.46 -44.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 100' ' ' TYR . . . -59.9 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 4.2 mm? -72.86 166.63 22.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 86.4 m-85 -162.22 136.95 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.582 HG23 ' CD ' ' A' ' 73' ' ' ARG . 14.5 t -119.5 178.37 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -88.21 136.13 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.461 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.95 -46.66 83.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -66.15 -23.17 66.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG22 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mt -80.35 -45.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CD2' ' A' ' 16' ' ' HIS . 56.9 t -56.18 -50.34 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -50.87 -47.85 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.97 -48.09 82.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.579 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.2 mtp -63.09 -29.96 71.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.511 ' CD2' HG13 ' A' ' 12' ' ' VAL . 5.1 m-70 -63.47 -21.31 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -83.46 170.79 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -117.13 -39.03 3.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -90.43 -24.85 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.47 -173.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 1.2 tt -70.23 -178.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -153.75 94.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 28.2 p90 -129.29 135.48 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.2 mt -48.05 147.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.94 -26.03 64.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -80.36 -38.17 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.746 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -54.1 -43.56 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 5.3 tp -68.06 -56.55 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 77.0 t -47.03 -64.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.74 -45.55 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.579 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 92.2 t90 -56.44 -67.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' TRP . 13.1 mt -37.62 -45.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.6 -55.54 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -57.5 -30.83 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.574 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.1 m -72.62 -13.56 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' SER . 38.9 t30 80.73 18.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 15.9 m-85 -88.5 -25.15 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB1' ' CB ' ' A' ' 58' ' ' GLU . . . -130.61 159.39 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.8 -31.12 10.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' LEU . 6.8 t -144.03 157.89 44.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -38.5 -32.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -63.35 -68.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 28.8 mt-10 -42.02 -31.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -79.5 -44.96 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 40.6 t -53.24 -44.26 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -43.58 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -55.22 -38.39 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -65.38 -57.75 7.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -53.07 -31.76 43.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.944 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -65.56 -45.82 81.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CB ' HD22 ' A' ' 72' ' ' LEU . 5.4 mt -60.33 -46.06 91.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.435 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 20.5 mtm -56.58 -43.34 79.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -47.55 85.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.5 mm-40 -61.98 -12.21 17.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 31.9 t30 85.16 36.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.2 m-85 -103.51 -18.33 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -158.37 169.69 23.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -145.83 156.98 51.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 27.0 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.0 mt -141.7 173.77 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.0 74.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.93 -177.54 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -92.56 31.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 p -134.15 -51.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -46.27 123.19 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.8 144.9 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 66.7 m-85 -145.22 138.67 26.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 8.6 t -127.59 165.84 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 69.4 m-85 -82.77 127.34 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.27 -47.31 86.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.49 -22.91 66.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 52' ' ' PHE . 80.6 mt -78.17 -43.01 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 71' ' ' PHE . 76.2 t -63.38 -48.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -50.14 -42.19 50.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.4 tttt -63.7 -49.4 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.628 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.8 mmm -58.59 -36.32 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CD2' HG12 ' A' ' 12' ' ' VAL . 16.3 m-70 -58.01 -29.85 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.7 170.77 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -118.5 -41.55 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -58.99 -58.33 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.9 p -101.05 -19.74 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -72.26 -173.0 20.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -67.28 -178.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -148.35 91.29 4.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.437 ' OG1' ' CD2' ' A' ' 99' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.508 ' CE2' ' O ' ' A' ' 100' ' ' TYR . 6.9 p90 -176.39 132.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' PHE . 11.1 mt -39.71 140.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.76 -31.8 72.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -68.18 -38.38 81.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -34.95 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -74.65 -45.82 42.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 56' ' ' ARG . 43.4 t -56.13 -67.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -44.06 -37.84 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 83.3 t90 -63.86 -68.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 37.5 mt -39.74 -34.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.01 -54.67 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' TRP . 12.5 t -69.89 -18.0 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.9 m -73.49 -14.13 61.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.8 t30 82.62 8.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE2' HG12 ' A' ' 11' ' ' ILE . 4.6 m-30 -92.49 -17.26 24.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 151.3 50.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.77 -24.99 14.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.67 166.41 32.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -41.31 -34.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -59.1 -74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -39.91 -41.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -62.85 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' LEU . 13.6 t -49.87 -41.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -45.85 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mm? -49.87 -32.11 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.592 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . -73.52 -57.53 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -55.23 -23.08 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 10.2 mt -69.85 -44.9 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.43 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 12.6 mtm -55.9 -38.69 70.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -44.26 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -64.8 -8.46 15.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 82.2 28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 14.9 m-85 -92.64 -29.83 15.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -143.01 170.7 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -155.12 151.85 23.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 13.0 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.507 0.194 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 -175.11 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.83 69.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.01 -171.49 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 m -87.86 -24.3 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 11.4 p -71.47 -63.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.28 135.54 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 5.1 mt -127.93 158.22 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 90.1 m-85 -162.59 131.02 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 102' ' ' PHE . 9.1 t -113.18 -159.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.449 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 16.4 m-85 -107.61 132.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.494 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 65' ' ' MET . 6.7 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -40.89 -30.63 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -87.91 -41.14 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.583 HG12 ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -66.43 -55.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 71' ' ' PHE . 57.4 t -41.17 -52.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.87 -47.69 51.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.3 tttp -61.84 -53.36 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.614 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.0 mmm -55.39 -33.13 63.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.13 -17.19 57.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.73 156.67 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -109.07 -15.07 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -68.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.4 p -92.19 -6.99 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.83 -166.21 42.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.1 178.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -149.54 91.61 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.407 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 15.3 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 100' ' ' TYR . 43.8 p90 -129.58 135.74 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.3 152.87 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' HA2' ' CD1' ' A' ' 100' ' ' TYR . . . -60.72 -36.33 91.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -70.38 -39.05 74.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -51.69 -40.46 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.98 -51.75 43.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 89.1 t -51.57 -63.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -50.42 -44.04 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.9 t90 -56.81 -67.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' TRP . 27.6 mt -38.11 -50.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mt -61.33 -57.51 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 t -54.71 -25.52 27.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 30.2 m -83.8 -9.12 59.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.1 t30 78.25 19.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 14.6 m-85 -88.8 -21.73 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.42 154.65 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.88 -35.39 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -146.05 160.76 41.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -38.79 -35.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -60.37 -68.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -42.41 -41.49 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -64.4 -43.96 92.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 24.1 t -56.54 -41.48 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -71.36 -43.25 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -62.98 -32.18 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -70.99 -57.94 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 p -51.34 -31.19 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.497 ' C ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.42 -52.82 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 4.1 mt -51.42 -49.0 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 22.7 mtm -53.85 -50.26 66.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -47.3 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.6 mm-40 -61.34 -12.37 13.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 5.0 t-20 84.22 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 17.7 m-85 -95.53 -26.31 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.19 172.06 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.523 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.05 155.97 32.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.429 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 40.7 t80 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.473 0.178 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.16 158.45 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.75 69.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 165.7 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.8 m -65.04 -44.22 89.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 21.4 p -52.39 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.93 118.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.47 161.18 15.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.682 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 79.4 m-85 -147.7 142.58 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.456 HG23 ' CD ' ' A' ' 73' ' ' ARG . 14.6 t -131.14 168.08 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 18.8 m-85 -78.89 132.16 36.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 75.9 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.603 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -51.27 -30.66 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 2.2 tpp180 -65.88 -12.27 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.582 HG21 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mt -109.81 -35.46 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 2.1 m -64.41 -41.65 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.37 -44.95 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -34.07 74.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.603 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -72.8 -29.74 63.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -61.98 -16.1 48.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' THR . 16.9 t0 -88.71 156.22 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.9 t -115.31 -10.24 12.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m -96.88 -44.44 7.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.2 p -119.05 12.41 12.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.45 -168.51 18.6 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.14 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.39 179.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -144.29 89.9 6.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 35.3 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 40.3 p90 -125.12 130.49 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.2 mt -50.1 146.65 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.86 53.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -67.0 -38.39 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 tp -64.26 -60.72 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 79.5 t -44.67 -59.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.58 -51.52 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 88.7 t90 -50.99 -66.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.049 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 46' ' ' TRP . 15.3 mt -35.78 -53.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.68 -61.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t -52.81 -28.47 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 15.4 m -72.95 -14.87 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.5 t30 81.62 15.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 11' ' ' ILE . 19.9 m-85 -88.88 -16.94 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -135.59 162.66 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . . . -101.78 -34.33 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 162.49 38.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -39.56 -34.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.346 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -60.52 -69.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 26.6 mt-10 -41.24 -36.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -75.96 -44.92 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 25.3 t -51.7 -46.17 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -44.26 67.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.68 -40.99 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -62.41 -58.69 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -55.2 -29.52 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.465 ' CE ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.0 mt -70.35 -42.83 71.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.54 -37.8 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -47.44 77.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 35.1 mm-40 -60.57 -12.3 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 26.2 t30 85.72 25.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -88.49 -32.97 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -140.99 171.05 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -154.21 153.68 28.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 12.3 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.507 0.194 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mt -136.24 169.76 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -133.36 70.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.26 167.64 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 m -59.67 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' ALA . 3.0 p -39.62 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.19 138.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 mt -136.62 158.17 45.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 87.8 m-85 -159.78 135.76 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 11.8 t -113.54 -167.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.458 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.6 m-85 -101.06 130.46 47.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.82 93.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -105.22 112.74 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.29 62.82 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -152.74 -66.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 0.755 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.56 -58.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -90.63 -59.22 1.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.2 mt -39.78 -34.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.727 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 1.2 t60 -54.13 -54.47 39.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.01 -20.21 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 62' ' ' LEU . 97.0 mt -81.81 -43.68 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 71' ' ' PHE . 75.4 t -62.92 -49.05 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -48.58 -41.44 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -52.22 57.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.619 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -56.95 -34.7 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.442 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-70 -60.19 -19.96 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -90.21 159.89 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -109.54 -24.5 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -72.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.3 p -90.44 -13.18 35.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.54 -166.85 30.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -74.32 179.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -151.24 91.46 3.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.01 168.3 25.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.439 1.757 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 178.28 159.29 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.86 11.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -112.04 -26.57 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 mtp 57.34 69.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -68.45 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -146.87 69.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.7 174.43 20.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 60.2 m 53.76 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 0.738 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -115.05 -35.56 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 32' ' ' SER . 44.6 m-85 55.93 88.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -94.57 126.93 40.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt 76.25 58.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.421 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 9.4 p -137.38 140.97 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 46.5 p90 -123.14 139.6 53.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.98 145.56 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.76 -44.54 48.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -63.78 -35.97 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -40.6 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 4.7 tp -72.0 -55.39 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 72.6 t -47.49 -60.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.76 -43.27 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.8 t90 -57.09 -66.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.6 mt -38.01 -47.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mt -65.38 -56.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 t -53.6 -27.94 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -78.07 -14.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.027 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.4 t-20 82.91 20.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 19.9 m-85 -91.6 -18.33 24.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 58' ' ' GLU . . . -135.85 157.54 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.71 -35.6 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.6 t -141.3 160.88 39.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -38.9 -36.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -58.46 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.519 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 30.8 mt-10 -42.15 -33.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -78.44 -44.54 24.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 42.5 t -53.15 -45.0 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -43.09 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.43 -36.59 76.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.26 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -57.79 -26.16 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -40.27 74.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 12.5 mt -64.72 -46.07 83.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 10.8 mtm -54.51 -39.61 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.44 -12.29 9.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 5.4 t-20 85.9 32.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.7 m-85 -99.64 -31.41 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.93 171.5 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.81 153.3 28.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.443 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.93 144.58 30.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 100' ' ' TYR . 1.9 t -111.33 -176.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' O ' ' CG2' ' A' ' 77' ' ' VAL . . . -54.08 -168.24 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 76' ' ' GLY . 7.5 m 48.33 -158.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.29 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.4 m 63.76 73.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.04 171.92 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.83 -100.18 1.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.05 62.92 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mm -82.86 121.08 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.54 135.31 53.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 p -119.28 48.62 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.51 -66.51 0.84 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.68 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -47.2 -61.14 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 50.07 -178.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -133.13 44.35 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 86.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 23.6 t80 -177.52 124.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.12 164.85 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -123.12 73.94 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.42 -169.53 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 m -89.7 -43.63 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 p -53.17 -59.8 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.03 133.16 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 1.5 mt -126.33 166.49 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 76.2 m-85 -161.6 147.88 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.449 HG21 ' NE ' ' A' ' 73' ' ' ARG . 11.7 t -132.15 163.84 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.6 m-85 -75.18 136.34 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.524 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -77.74 128.55 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -8.87 57.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -90.29 84.76 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 6.6 p90 -173.81 -175.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 10.6 mttm -69.29 105.73 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -139.1 99.36 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -49.41 159.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -154.0 148.25 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.3 m -44.48 103.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.3 t -145.14 78.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 68.98 72.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 164.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.21 111.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.53 155.08 20.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.2 13.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 167.53 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -123.28 167.28 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -160.33 113.29 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -145.17 115.91 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.25 58.67 1.61 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -174.69 70.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -101.53 -38.39 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -54.75 -45.21 79.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.86 -28.07 0.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 6' ' ' SER . 8.8 m170 -57.61 -48.51 79.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.8 -25.94 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 52' ' ' PHE . 55.5 mt -76.54 -46.21 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG23 ' CD1' ' A' ' 71' ' ' PHE . 95.3 t -58.04 -49.98 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.18 -46.15 54.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.33 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.606 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.4 mmm -55.54 -38.16 68.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.1 -24.36 58.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.53 164.36 23.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -115.65 -35.51 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -62.94 -58.9 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.5 p -104.15 -19.62 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.93 -170.37 17.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.03 177.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -151.85 92.79 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 91.47 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 100.46 42.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -58.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 40.34 54.55 2.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 41.75 59.35 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -48.06 -60.99 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -164.7 87.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.13 143.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.0 m 58.59 88.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 m -59.22 96.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.524 ' CD1' HD11 ' A' ' 99' ' ' LEU . 31.1 m-85 -59.41 132.4 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -84.95 108.59 17.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm 46.14 87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 19.4 p -147.62 151.18 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 34.2 p90 -126.72 134.55 50.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.6 mt -51.76 149.44 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.42 91.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.6 t -65.16 -38.05 89.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.9 -44.72 70.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.26 -58.41 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.1 t -43.87 -65.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -48.18 -48.84 34.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.606 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.3 t90 -52.31 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' TRP . 21.0 mt -39.12 -46.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.17 -51.78 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' TRP . 13.7 t -60.76 -26.99 67.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 2.3 m -76.27 -0.83 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.944 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.63 20.11 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 11' ' ' ILE . 15.7 m-30 -92.5 -20.15 21.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -133.68 159.15 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.13 -34.15 9.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.37 161.77 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -36.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -59.17 -67.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 32.6 mt-10 -43.5 -33.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.62 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 34.1 t -55.82 -43.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -40.09 68.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.38 -36.51 80.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.75 -58.27 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -53.64 -29.91 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -46.61 73.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 6.3 mt -59.5 -44.48 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.458 ' CG ' ' CD1' ' A' ' 72' ' ' LEU . 20.3 mtm -57.51 -41.57 81.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.51 93.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -63.65 -9.67 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-20 85.27 25.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.3 m-85 -95.48 -12.22 26.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -162.66 170.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.515 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.48 148.28 23.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.01 125.04 9.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 99' ' ' LEU . 12.0 m -89.15 -179.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.511 ' O ' ' CG2' ' A' ' 77' ' ' VAL . . . -58.41 -141.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 76' ' ' GLY . 7.1 m 50.1 -156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 77' ' ' VAL . 34.3 mmt180 -42.31 -57.71 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 m -49.99 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.406 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 66.36 63.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.42 -96.97 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -93.45 -9.96 36.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 9.7 mm 56.86 163.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 129.24 34.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.7 t -109.94 47.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.9 69.41 1.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.36 -169.85 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.02 20.75 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.11 169.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' PHE . 15.6 pt-20 -120.9 30.97 6.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.5 88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE2' ' CZ ' ' A' ' 100' ' ' TYR . 25.9 t80 -162.02 144.48 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.1 mt -107.15 171.35 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -136.19 71.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.86 162.15 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . 64.3 p -55.36 -56.78 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.4 p -37.21 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.46 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 3.6 mt -133.75 169.61 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CZ ' ' CE2' ' A' ' 92' ' ' PHE . 70.9 m-85 -166.06 142.38 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.433 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 14.1 t -126.66 178.63 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.5 m-85 -87.97 135.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.515 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -91.84 139.18 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ALA . 14.2 mm-40 35.64 -102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER 173.39 62.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 105' ' ' SER . 53.2 p90 40.51 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 8.4 pttt -60.7 113.17 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 107.91 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -63.0 131.42 48.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.24 150.69 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 m -42.69 104.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.29 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.84 76.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -154.52 98.7 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 p -167.56 -58.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.2 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.82 6.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.41 145.81 4.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.5 p 179.14 141.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.28 97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -162.94 107.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 54.73 169.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' SER . 9.1 m 63.95 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.9 t 87.9 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.05 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -111.1 -54.51 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 22.3 mt -39.75 -35.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -56.13 18.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.57 -20.72 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.508 HG22 ' CD2' ' A' ' 52' ' ' PHE . 52.3 mt -80.59 -44.32 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG22 ' CG ' ' A' ' 71' ' ' PHE . 66.2 t -63.2 -48.64 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -48.37 -51.12 27.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -56.44 -51.0 70.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.0 mtp -59.67 -23.53 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.11 -12.48 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -112.7 -5.37 13.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -88.38 0.7 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.07 -172.57 38.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.14 179.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -147.33 90.42 5.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 121.62 6.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -115.39 144.5 32.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.55 6.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -78.14 109.9 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 164.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.07 -57.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -168.86 102.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.34 55.81 1.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.11 107.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -88.86 120.25 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -94.57 98.35 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 137.61 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.56 45.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 12.3 p -143.18 148.1 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -126.08 133.17 51.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -45.85 159.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -72.81 -30.07 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -74.86 -37.2 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -47.73 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 47' ' ' LEU . 4.9 tp -59.77 -57.29 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 46.1 t -45.14 -71.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.8 -48.19 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.5 t90 -52.92 -66.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 43' ' ' LEU . 14.4 mt -38.14 -53.0 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 56' ' ' ARG . 55.7 mt -57.75 -55.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -53.81 -34.71 60.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -75.6 -4.41 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.6 t30 73.01 20.55 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.5 m-30 -91.31 -17.47 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.51 153.2 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.17 -44.07 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 p -139.13 163.84 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' CD ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -40.66 -31.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -64.13 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -43.93 -41.16 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 44' ' ' VAL . . . -64.59 -42.33 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.9 t -59.15 -42.33 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -44.83 64.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -57.49 -30.46 65.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.17 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -52.12 -28.18 16.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.32 -42.98 78.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CB ' HD23 ' A' ' 72' ' ' LEU . 6.7 mt -64.24 -48.49 75.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.467 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 13.3 mtm -53.4 -42.48 67.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -47.46 80.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 9.1 mm-40 -59.54 -12.8 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 86.16 33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.3 m-85 -101.03 -22.65 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.66 173.27 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.512 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -149.97 149.68 28.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' O ' ' CG ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -75.06 104.82 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.6 t -68.82 164.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.511 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -50.08 -102.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.439 ' CG1' HD13 ' A' ' 99' ' ' LEU . 13.2 m 38.21 -145.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' N ' HG22 ' A' ' 77' ' ' VAL . 1.3 tpt180 -64.77 -48.61 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.0 m -54.51 -167.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.462 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 63.07 55.45 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.97 -80.17 1.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.37 42.21 3.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 1.2 mp -65.04 150.0 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -145.58 90.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.8 p -70.97 68.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.95 -42.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -83.69 169.15 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.8 tm? -78.15 -8.32 58.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -39.24 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -120.04 52.49 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.79 110.65 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 24.2 t80 -177.57 108.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.0 163.49 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.44 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.97 179.16 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 m -70.14 -46.71 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.3 p -49.97 -69.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -39.8 133.8 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.439 HD13 ' CG1' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -130.79 160.1 35.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -154.31 137.08 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.439 HG23 ' NE ' ' A' ' 73' ' ' ARG . 12.4 t -117.56 165.27 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 32.0 m-85 -77.57 135.49 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.526 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -81.86 -1.36 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER 27.61 89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.473 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -163.62 88.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -165.02 170.05 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 117.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 126.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.88 118.9 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 p -173.13 155.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.2 m -75.03 78.97 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -177.68 158.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -121.85 160.02 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -159.52 -57.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.94 147.59 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.39 105.31 2.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -131.84 128.02 37.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 p -135.65 169.0 18.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -148.3 -55.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.771 . . . . 0.0 110.003 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -173.47 152.25 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.82 -105.64 1.44 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' OG ' ' OE2' ' A' ' 69' ' ' GLU . 1.8 m -93.67 43.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -54.12 -42.32 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -61.08 -62.63 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.9 mt -44.62 -27.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -62.19 -61.05 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.52 -21.31 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.482 HG22 ' CE2' ' A' ' 52' ' ' PHE . 76.1 mt -78.51 -43.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 71' ' ' PHE . 35.1 t -65.06 -49.76 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -42.43 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.604 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.4 mmm -54.76 -30.91 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 19.1 m-70 -64.63 -25.8 68.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.03 156.89 33.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -109.01 -11.67 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -97.57 -63.86 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 p -91.49 -5.6 53.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.66 -168.32 39.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.07 179.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -151.96 92.65 3.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.04 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 127.32 35.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.95 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.437 1.756 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -169.23 33.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 55.25 167.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -164.14 -51.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -133.64 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.58 -70.26 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.4 178.85 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 0.735 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.9 t -104.23 -16.51 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 43.62 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -70.99 -80.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -69.52 69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 p -152.38 142.59 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 38.8 p90 -127.85 128.32 45.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -40.36 150.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.99 -33.2 83.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -71.73 -34.47 69.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -56.58 -50.52 71.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -57.83 -47.78 81.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 48.9 t -53.5 -68.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.41 -34.8 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.8 t90 -64.67 -64.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.8 mt -39.76 -50.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 56' ' ' ARG . 56.7 mt -58.99 -57.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -54.12 -28.75 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.68 5.04 19.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.78 21.94 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 14.8 m-30 -93.23 -15.29 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.86 158.29 44.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.75 -36.73 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 158.94 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' N ' HD11 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -38.53 -37.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -59.03 -67.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -42.38 -42.74 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -63.94 -42.49 97.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 25.5 t -60.1 -40.58 83.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -73.84 -40.81 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.41 -28.56 69.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -67.98 -60.46 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -52.26 -33.66 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -37.16 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 5.6 mt -72.27 -44.83 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 8.7 mtm -58.39 -36.44 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.424 ' HG2' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -68.17 -45.85 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.81 -11.51 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.1 t-20 86.23 24.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -89.61 -29.32 18.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.18 173.2 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -154.29 155.47 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.1 Cg_endo -75.02 135.08 18.57 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' CG2' HG23 ' A' ' 101' ' ' THR . 39.7 t -124.6 169.12 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.76 -124.35 7.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 78' ' ' ARG . 1.9 m -128.92 -43.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.0 OUTLIER -63.13 147.6 50.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 3.6 t 86.45 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.473 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 57.8 mmm -59.51 95.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' ALA . . . -133.03 56.9 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . 83.6 -7.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 1.4 mm 44.28 -168.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' NE ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -160.38 133.27 6.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.18 48.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' ASP . . . -174.16 -93.98 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' GLY . 1.6 m-20 -39.77 130.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.77 -57.93 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 46.73 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' PHE . 12.5 pt-20 -129.45 22.78 5.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.93 96.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 34.6 t80 -179.01 162.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.414 HD13 ' CA ' ' A' ' 79' ' ' SER . 4.0 mt -132.18 171.16 14.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -133.74 68.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -169.99 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -102.35 15.97 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -118.68 -36.17 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.51 84.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 4.0 mm? -72.36 168.94 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 69.7 m-85 -164.79 137.68 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.451 HG21 ' NE ' ' A' ' 73' ' ' ARG . 13.8 t -126.95 163.37 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.98 132.96 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.533 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -77.33 143.23 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 105' ' ' SER . 3.4 mm-40 37.73 -102.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 0.5 OUTLIER 163.14 114.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -54.19 -171.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.056 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.45 135.84 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -175.16 146.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -69.42 158.56 34.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.06 98.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 t -105.28 -60.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m 63.94 167.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 172.85 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.29 143.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -174.94 168.97 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.58 98.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 p -163.8 148.82 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.3 82.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -178.48 112.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -166.95 107.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.44 32.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.7 p -39.77 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.7 t 85.57 -48.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 -48.07 4.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.65 -57.35 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -50.24 -26.67 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 1.1 tpp180 -84.71 -38.99 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.582 HG12 ' CD2' ' A' ' 52' ' ' PHE . 3.1 mt -64.11 -51.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.542 HG23 ' CG ' ' A' ' 71' ' ' PHE . 53.1 t -55.1 -49.72 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -40.4 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -84.81 -53.09 5.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 mtm -58.43 -21.52 51.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.44 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 1.5 m-70 -71.38 -17.52 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -90.96 159.77 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 t -118.87 -0.25 11.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.4 m -102.45 -46.58 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 p -117.56 4.43 12.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.62 -161.27 26.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tt -72.49 178.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -145.09 90.37 6.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.04 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.45 124.7 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.75 43.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 177.68 103.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.87 113.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.57 55.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 48.19 54.14 10.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.9 -60.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.565 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -160.1 175.0 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.03 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 m -78.32 -37.38 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' O ' ' A' ' 32' ' ' SER . 29.9 m-85 52.9 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 111.79 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.75 90.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.433 ' CG2' ' HB ' ' A' ' 101' ' ' THR . 10.8 p -137.84 149.58 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 30.1 p90 -124.58 148.09 48.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.33 152.0 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.56 -29.76 74.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -76.22 -32.28 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -57.89 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 47' ' ' LEU . 6.7 tp -51.75 -49.12 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' CD ' ' A' ' 56' ' ' ARG . 11.8 t -54.43 -77.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -40.38 -39.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 15' ' ' MET . 82.1 t90 -61.18 -67.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.038 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 43' ' ' LEU . 22.4 mt -39.18 -47.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 56' ' ' ARG . 56.9 mt -61.36 -61.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 t -52.74 -31.71 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.604 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.9 t -73.88 -14.87 61.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' SER . 51.2 t30 83.64 18.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.0 m-30 -93.35 -14.88 26.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.35 152.86 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.92 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 172.61 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' CD ' HG11 ' A' ' 44' ' ' VAL . 23.7 mmt180 -48.32 -34.0 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -61.47 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.3 -42.34 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 44' ' ' VAL . . . -63.87 -42.27 97.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LEU . 39.5 t -59.96 -41.45 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -73.45 -42.28 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.26 -28.79 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.94 -57.19 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -53.66 -23.85 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -47.45 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 9.9 mt -58.94 -42.75 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 12.9 mtm -58.22 -37.41 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -45.96 81.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.605 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.3 mm-40 -62.08 -11.67 15.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-20 85.96 29.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.8 m-85 -95.74 -26.87 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.92 167.39 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.48 150.45 28.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.431 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.99 146.4 32.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 99' ' ' LEU . 15.8 m -112.49 -175.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.481 ' O ' ' CG2' ' A' ' 77' ' ' VAL . . . -57.37 -157.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 76' ' ' GLY . 11.0 m 48.25 -152.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' HG3' ' CB ' ' A' ' 97' ' ' THR . 38.3 mmt180 -46.24 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 0.9 OUTLIER 81.24 -156.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.4 mtt 51.77 59.07 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.423 ' N ' HD13 ' A' ' 83' ' ' ILE . . . -87.39 -132.1 3.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 84' ' ' ARG . . . -76.34 -2.95 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.435 ' CG2' ' H ' ' A' ' 84' ' ' ARG . 4.7 mm 45.38 -140.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 3.2 mtp180 53.74 64.71 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 t -67.61 67.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . -90.43 -110.26 1.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' LEU . 1.6 m-20 -52.57 -176.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -39.2 -60.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 48.37 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -142.89 42.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -64.79 178.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.705 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 30.9 t80 62.63 145.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 98' ' ' ALA . 11.2 mt -111.29 166.95 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.405 ' OD1' ' CG1' ' A' ' 44' ' ' VAL . 7.3 t70 -128.97 69.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.0 177.71 8.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -24.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.454 ' CB ' ' HG3' ' A' ' 78' ' ' ARG . 46.2 p -69.84 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 93' ' ' LEU . . . -40.28 133.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 5.7 mt -129.78 168.09 17.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.705 ' CE2' ' CE2' ' A' ' 92' ' ' PHE . 99.3 m-85 -163.48 168.21 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.449 HG22 ' NE ' ' A' ' 73' ' ' ARG . 14.2 t -152.3 164.13 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -80.44 134.87 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -69.42 161.56 29.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -38.64 -35.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER 173.49 -164.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -127.82 -175.88 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -55.72 163.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.0 52.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.2 165.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.09 65.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.23 170.67 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 171.03 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 154.98 45.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -108.21 -57.42 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.53 170.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.13 -172.15 18.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.06 4.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.14 172.06 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.4 -58.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -175.42 145.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.04 160.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.25 147.49 47.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p 46.57 77.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 4.3 t -106.85 -44.98 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -45.97 -51.42 10.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.4 mt -44.35 -31.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.738 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.1 t-80 -57.21 -45.24 84.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.563 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.78 -21.18 66.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 52' ' ' PHE . 89.9 mt -82.12 -41.63 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 16' ' ' HIS . 96.1 t -60.67 -43.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.33 -52.56 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 tttt -55.7 -50.8 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.9 mmm -54.66 -41.71 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.646 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 42.2 m-70 -53.97 -33.21 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.04 165.22 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -115.17 -31.85 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -73.48 -58.28 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 p -98.14 -14.26 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -79.3 -171.52 41.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.78 -178.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -153.05 92.31 3.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.95 131.85 14.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 159.29 54.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.56 42.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -178.03 98.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 141.97 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -141.21 -55.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -120.4 -60.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.08 -92.42 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.31 113.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 0.737 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -72.45 93.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -68.41 91.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -11.68 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.04 51.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 24.2 p -146.83 155.24 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 39.8 p90 -123.6 141.09 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.64 148.09 47.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.68 -36.57 65.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -67.86 -36.77 80.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -48.83 80.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.58 -53.85 52.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 30.2 t -47.11 -70.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.97 -46.47 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 90.3 t90 -54.09 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.8 mt -43.42 -53.92 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 56' ' ' ARG . 65.0 mt -56.1 -59.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -53.92 -27.28 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -82.95 7.84 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.13 18.26 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 11' ' ' ILE . 17.2 m-30 -90.53 -16.99 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.79 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.04 -37.46 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.63 161.11 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' N ' HD11 ' A' ' 48' ' ' ILE . 2.2 mpt_? -39.52 -38.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -57.98 -66.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -40.79 -45.28 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -60.78 -44.53 96.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 94' ' ' ASP . 30.9 t -58.39 -40.19 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -41.11 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -34.5 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -64.15 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -48.82 -46.42 41.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -50.81 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 4.8 mt -55.07 -48.41 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.434 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 14.2 mtm -53.82 -37.78 63.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -42.49 92.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.621 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mt-10 -68.28 -5.7 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER 81.16 20.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -86.61 -16.59 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -159.15 173.15 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.526 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.09 156.41 32.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.99 130.03 12.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.27 156.25 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.73 -177.99 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.1 m -72.49 -166.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.39 -58.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.4 m -74.08 -45.01 51.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.9 mmt -61.66 -15.7 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.93 93.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.88 90.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.9 mm -92.83 146.14 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.49 152.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.42 49.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.75 60.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.72 144.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.504 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -48.48 -37.4 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -36.22 142.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 64' ' ' SER . 3.6 mp0 -128.15 12.34 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' GLU . 2.9 tm0? 35.04 91.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 93' ' ' LEU . 11.7 t80 -124.22 125.49 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -93.25 176.82 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 7.1 t70 -134.98 71.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.74 169.12 18.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 p -63.09 -56.59 15.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.6 p -43.59 -68.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -39.89 109.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 3.1 mt -101.53 165.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 95.6 m-85 -161.07 137.82 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.436 HG22 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -122.97 176.29 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.441 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 20.8 m-85 -82.6 133.95 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.526 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -85.69 141.79 29.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mt-10 37.11 -103.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 0.6 OUTLIER 165.87 123.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.027 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.646 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -52.84 -173.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.436 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 9.2 mttt -62.94 130.66 45.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -172.35 146.74 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.2 34.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.1 t 64.14 106.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -166.47 115.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.5 t -175.43 -58.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.92 164.42 33.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.41 128.1 35.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.54 -101.34 0.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.57 4.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.64 138.72 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -136.43 141.14 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -178.49 137.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.83 160.23 16.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.87 176.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 40.39 72.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -90.15 58.89 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -173.97 -58.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 71.7 mt -38.19 -35.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 0.811 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 1.8 t60 -61.08 -55.93 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.99 -22.51 64.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 94.6 mt -79.27 -42.04 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.521 HG21 ' CG ' ' A' ' 71' ' ' PHE . 65.1 t -62.32 -42.42 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -55.37 -52.99 61.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -55.22 26.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.1 mtp -49.36 -49.02 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -45.34 -35.47 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD2' ' N ' ' A' ' 19' ' ' SER . 10.5 t70 -69.8 163.87 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.88 -28.07 7.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -68.75 -63.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -101.13 -16.64 16.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.1 -159.75 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.31 155.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -126.0 88.95 53.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.33 25.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -113.78 163.34 18.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . 18.3 Cg_endo -74.98 -36.11 2.76 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PRO . 2.2 t30 -39.44 98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -91.82 -174.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -99.8 -53.81 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -170.8 130.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.63 -124.68 8.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.9 137.44 57.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.2 m -80.34 92.23 5.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB3' ' CG2' ' A' ' 37' ' ' THR . 21.4 m-85 -66.18 104.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -83.96 -60.72 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.74 59.81 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' A' ' 99' ' ' LEU . 2.9 p -145.54 144.27 30.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.425 ' N ' HD13 ' A' ' 99' ' ' LEU . 18.1 p90 -130.97 124.36 30.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.51 157.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -27.36 69.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -74.1 -40.21 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -46.46 75.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 47' ' ' LEU . 4.8 tp -61.99 -59.07 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 28.0 t -44.08 -72.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -41.91 -54.44 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 85.4 t90 -46.81 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 43' ' ' LEU . 24.9 mt -35.62 -56.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mt -55.18 -53.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -55.95 -33.99 65.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.055 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 2.5 m -78.28 -7.33 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' SER . 41.2 t30 77.1 20.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 13.2 m-85 -88.8 -19.28 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.91 152.72 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.92 -42.07 12.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -138.49 165.62 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -43.93 -34.93 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -61.32 -64.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -43.45 -42.48 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 44' ' ' VAL . . . -63.67 -42.83 98.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 57' ' ' LEU . 32.0 t -59.19 -38.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -41.0 62.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -29.03 70.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.58 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -71.08 -58.9 3.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 p -51.57 -31.11 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.44 87.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.9 mt -66.64 -47.82 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.438 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 23.6 mtm -54.81 -40.24 69.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.62 82.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mm-40 -62.55 -10.51 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-20 83.86 36.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.0 m-85 -103.54 -23.1 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.67 173.58 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -151.11 155.74 34.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -75.05 140.66 25.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.422 HG22 ' CA ' ' A' ' 100' ' ' TYR . 10.5 t -121.71 168.98 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.64 -163.25 54.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -108.58 -32.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' HB ' ' A' ' 97' ' ' THR . 15.6 mmt180 -52.71 -51.35 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 74' ' ' PRO . 86.8 p -97.0 80.31 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' GLY . 2.4 mmt -160.64 -56.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' MET . . . 33.06 -97.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' MET . . . -143.06 52.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.433 HD12 ' CA ' ' A' ' 80' ' ' MET . 3.0 mt -66.72 138.07 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -147.56 144.48 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 58.38 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.46 -57.32 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . 4.5 m-20 -144.51 172.05 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 1.5 tm? -39.89 -58.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 88' ' ' LEU . . . 49.64 -177.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' PHE . 11.5 pt-20 -134.13 20.23 3.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 91' ' ' GLN . 1.7 pp0? -45.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 63' ' ' ALA . 29.9 t80 -177.61 130.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.26 159.24 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 94' ' ' ASP . 3.6 t0 -116.92 75.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.25 177.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.3 p -74.96 -51.38 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.4 ' HB ' ' HG3' ' A' ' 78' ' ' ARG . 80.3 p -48.54 -59.68 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 113.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.488 ' CD1' ' HB ' ' A' ' 37' ' ' THR . 42.6 tp -115.14 155.0 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.3 m-85 -143.08 141.79 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.487 HG21 ' CD ' ' A' ' 73' ' ' ARG . 10.2 t -122.33 176.3 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.06 132.15 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.503 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -76.2 175.64 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.31 110.71 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.3 p -163.26 50.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -166.82 -177.94 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -49.52 112.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -165.44 164.6 19.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -112.75 114.88 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.8 p -176.01 -38.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m 53.66 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -111.96 138.63 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -50.3 115.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -177.45 81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 m -118.0 158.04 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.07 52.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.87 5.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m 42.01 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.6 166.4 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.67 149.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -123.33 162.09 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.18 133.46 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 41.0 55.48 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.74 57.62 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -168.16 -53.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 88.7 mt -42.86 -30.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -59.02 -50.33 74.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.91 -22.58 59.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' CD2' ' A' ' 62' ' ' LEU . 79.6 mt -79.7 -44.87 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' ' 16' ' ' HIS . 74.1 t -59.26 -49.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.55 -45.34 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.625 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.6 mmm -58.88 -26.91 64.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' CD2' HG11 ' A' ' 12' ' ' VAL . 43.4 m-70 -70.43 -7.91 46.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.31 160.6 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -111.88 -26.92 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -63.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -103.22 -13.73 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.73 -179.55 52.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -152.55 92.16 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.02 167.57 26.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.05 145.22 0.53 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.05 32.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.7 t-20 -165.42 101.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.2 mtp -38.7 96.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' ASN . 7.3 tp10 -79.38 -59.22 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.92 60.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.24 -69.36 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.9 161.19 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -104.83 -22.68 13.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 43.79 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.33 143.71 36.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 68.09 63.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 16.4 p -146.15 149.85 34.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.442 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -126.86 130.94 51.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.6 mt -43.16 157.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.38 -37.15 90.17 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -71.47 -37.2 71.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -46.88 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.8 tp -61.93 -59.91 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 85.7 t -43.04 -66.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -47.64 -46.77 29.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.625 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.2 t90 -55.43 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' TRP . 15.7 mt -38.01 -38.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt -70.15 -54.43 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' TRP . 22.7 t -58.74 -30.03 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 3.1 m -70.23 -14.56 62.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' SER . 29.8 t30 81.81 18.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 22.8 m-30 -91.68 -22.71 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -131.69 160.58 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.92 -34.39 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.2 t -140.06 158.92 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER -38.62 -34.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -61.06 -68.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 28.8 mt-10 -42.63 -31.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -80.69 -44.0 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 40.3 t -54.08 -43.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -40.0 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.56 -35.47 76.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -66.39 -58.65 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -51.92 -29.84 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -50.13 55.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 6.7 mt -57.95 -45.66 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.413 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 17.3 mtm -56.11 -42.61 77.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -41.93 96.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.2 mm-40 -64.96 -8.08 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 5.1 t-20 83.54 20.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 21.5 m-85 -89.39 -14.2 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -161.52 173.21 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -151.91 149.58 23.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.94 108.45 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.58 130.93 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 77' ' ' VAL . . . -61.54 -161.6 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER 80.72 -52.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.352 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.494 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -109.18 -69.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -73.5 -149.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 61.03 172.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' ALA . . . 112.89 57.87 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . 84.06 61.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.53 134.16 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.0 112.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.11 58.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.059 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' LEU . 14.1 m-20 -109.5 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' ASP . 1.6 tt -40.32 -52.58 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.73 176.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -145.78 44.71 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 92.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 27.5 t80 -177.6 123.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -95.9 176.97 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.18 71.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.92 166.02 25.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.4 m -66.08 -49.82 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 98' ' ' ALA . 1.9 p -46.64 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -40.33 134.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.68 164.74 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.6 m-85 -151.13 139.06 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.48 HG22 ' CD ' ' A' ' 73' ' ' ARG . 14.7 t -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 17.6 m-85 -86.07 134.82 33.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -81.5 136.18 35.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 105' ' ' SER . 2.9 mt-10 47.83 23.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 104' ' ' GLU . 46.6 m 35.44 -108.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.432 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 1.5 t80 -123.36 178.28 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 -169.33 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.7 68.98 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -88.47 178.19 6.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 1.1 p -140.65 126.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.4 m -164.83 125.89 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.74 117.17 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 115.32 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.66 76.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.41 76.86 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 51.67 -154.22 4.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 97.72 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.18 127.42 41.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.24 102.1 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -160.39 -56.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -161.41 150.21 16.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.6 -95.4 0.85 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -98.19 52.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.8 52.65 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.964 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -174.74 -55.44 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.5 mt -39.86 -35.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -51.0 60.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -63.64 -22.05 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 53.4 mt -79.73 -43.73 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 71' ' ' PHE . 73.3 t -61.56 -46.38 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -52.52 -48.75 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -48.87 78.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.5 mtp -62.59 -30.98 71.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.507 ' CD2' HG13 ' A' ' 12' ' ' VAL . 5.3 m-70 -61.08 -19.45 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -90.86 155.57 18.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -109.0 -15.8 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -72.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -93.0 -11.4 33.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.46 -154.03 8.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.44 1.087 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.83 -179.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -150.44 92.27 4.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.88 5.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 162.62 17.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 40.9 82.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.1 mtp -38.91 110.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.91 85.75 5.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 40.84 54.67 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 82.75 1.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.9 m 172.67 172.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.76 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -151.0 -44.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 32' ' ' SER . 96.1 m-85 51.58 39.71 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER 40.5 -106.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.41 98.09 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 34' ' ' TYR . 3.2 p -142.4 136.59 29.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 46.5 p90 -106.25 129.56 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 99' ' ' LEU . 15.1 mt -49.29 144.85 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -57.44 -38.58 87.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -43.61 77.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.0 -56.73 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 87.4 t -47.6 -61.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.5 -43.11 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 91.6 t90 -59.67 -67.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' TRP . 18.5 mt -37.35 -47.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.15 -58.51 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -53.62 -30.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.2 m -73.66 -13.16 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.7 t30 81.5 20.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -90.52 -23.6 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -131.66 158.52 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.31 -34.77 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' ARG . 3.2 t -141.81 159.35 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -38.46 -33.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -62.54 -69.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 29.1 mt-10 -41.38 -33.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -79.07 -45.35 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 29.9 t -52.5 -45.58 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.74 69.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.09 -41.23 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.57 -58.24 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 p -52.63 -36.32 56.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 2.0 mtm -60.13 -52.92 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 11.6 mt -49.98 -46.55 52.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.44 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 15.6 mtm -55.44 -41.23 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.68 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 71' ' ' PHE . 14.8 mp0 -58.53 -14.89 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t30 88.37 39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' A' ' 69' ' ' GLU . 21.5 m-85 -100.39 -21.26 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.22 174.24 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.506 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -152.86 156.88 33.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.459 ' CG ' HG12 ' A' ' 83' ' ' ILE . 18.4 Cg_endo -75.02 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.796 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.1 t -91.42 135.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.31 -154.68 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.8 m -74.71 175.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 6.0 mmp_? 64.7 32.07 11.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' HB2' ' A' ' 74' ' ' PRO . 61.4 p -177.39 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.74 44.57 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.78 -98.92 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -96.97 -34.44 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 ' O ' ' O ' ' A' ' 82' ' ' ALA . 3.9 mp 59.43 143.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -43.59 -26.44 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' ARG . 1.6 t 36.89 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . 89.77 57.52 1.71 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -159.68 -175.71 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.91 17.82 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.05 144.33 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.58 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 83' ' ' ILE . 1.5 pp0? -89.22 118.95 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 46.9 t80 -177.71 146.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 2.8 mt -116.86 166.69 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 7.4 t70 -130.54 71.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.05 -172.7 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.5 p -97.76 16.91 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 p -119.42 -39.33 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 78' ' ' ARG . . . -68.04 84.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 3.9 mm? -74.26 171.63 13.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 60.3 m-85 -165.67 140.44 4.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.438 HG21 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -126.56 165.94 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 26.7 m-85 -79.42 135.08 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.506 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -78.02 165.68 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -108.1 117.4 34.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.41 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 0.4 OUTLIER 172.91 65.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -178.86 148.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -63.14 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 6.0 tttt 173.99 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -90.8 150.52 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -110.04 -29.8 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER 37.4 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 88.36 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 159.76 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.15 102.12 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.85 136.25 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.09 100.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 m -95.4 166.19 11.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.89 140.44 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.28 -168.97 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -158.13 -175.01 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.87 168.6 23.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 m 41.9 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.78 -45.78 6.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.38 -58.07 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.05 -37.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' CD ' ' C ' ' A' ' 10' ' ' ARG . 2.0 tpp180 -71.38 -46.23 60.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 52' ' ' PHE . 6.2 mt -59.33 -50.26 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 71' ' ' PHE . 65.0 t -50.61 -51.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.475 ' OD1' ' CE ' ' A' ' 109' ' ' LYS . 1.7 m-20 -48.8 -36.65 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -51.09 20.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.608 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 2.6 mmm -60.04 -28.67 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 12' ' ' VAL . 1.8 m-70 -66.04 -18.63 65.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 18' ' ' THR . 8.5 t0 -92.1 160.7 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 13.7 t -110.86 -18.65 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -76.57 -69.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -97.52 -3.31 40.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.68 -167.64 43.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.44 179.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -149.06 91.14 4.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 131.71 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 37' ' ' THR . 2.6 m -113.51 160.65 30.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.41 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 43.11 87.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttt -43.34 125.12 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.36 120.65 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 39.34 55.15 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.08 -70.14 1.55 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 102.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -78.54 115.9 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE1' HG21 ' A' ' 77' ' ' VAL . 52.1 m-85 -83.53 95.11 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -82.89 148.48 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt 66.72 55.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' SER . 21.7 p -148.41 151.42 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.437 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 45.9 p90 -132.5 133.49 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 99' ' ' LEU . 23.9 mt -50.36 150.91 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.18 -41.31 96.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -65.9 -38.63 89.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -51.66 -47.31 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.2 tp -62.1 -58.25 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 88.4 t -46.18 -61.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.45 -49.35 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.608 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.5 t90 -54.78 -65.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 107.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' TRP . 12.1 mt -38.6 -48.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.99 -57.26 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.8 t -53.62 -28.88 35.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 68.6 m -76.47 -12.8 60.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.4 t30 81.07 19.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.0 m-85 -89.56 -21.86 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -134.32 160.62 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . . . -102.37 -35.07 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.58 156.36 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.26 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER -65.0 -67.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 24.1 mt-10 -42.37 -39.91 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -69.7 -45.85 67.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 56' ' ' ARG . 40.7 t -53.07 -46.02 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -42.61 88.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -61.71 -37.77 85.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.565 ' HB1' ' CD2' ' A' ' 92' ' ' PHE . . . -60.92 -60.85 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -49.4 -41.18 38.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -48.36 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 8.0 mt -60.01 -45.97 91.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 18.2 mtm -57.09 -40.89 77.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -44.68 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.603 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.4 mm-40 -61.78 -11.38 12.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 8.1 t-20 86.75 23.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -91.32 -20.06 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -155.05 174.05 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.497 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.12 152.36 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -74.99 108.24 2.67 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.45 139.21 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 77' ' ' VAL . . . -60.74 -159.14 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.564 HG21 ' CE1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER 80.29 -53.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.512 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 22.6 tpt180 -117.7 -76.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -60.91 -146.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER 60.78 176.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.82 -86.54 0.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -102.84 -26.68 13.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 82' ' ' ALA . 6.9 mm 58.62 154.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.35 40.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -81.46 78.88 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.05 -54.95 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -80.55 -177.8 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.9 tm? -65.89 -11.45 47.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -38.45 148.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.86 46.5 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.83 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' HB1' ' A' ' 63' ' ' ALA . 31.7 t80 -176.72 134.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.26 167.07 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.9 66.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.26 165.55 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' THR . 75.5 m -61.17 -58.36 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' SER . 80.6 p -38.74 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' CA ' ' HG2' ' A' ' 78' ' ' ARG . . . -41.37 129.57 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -120.2 172.31 7.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 94.7 m-85 -163.39 139.85 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.468 HG23 ' CD ' ' A' ' 73' ' ' ARG . 13.6 t -122.57 174.25 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.3 m-85 -84.4 134.91 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.497 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -79.62 112.24 16.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.08 108.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p 176.4 82.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CZ ' ' CE1' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -136.78 163.98 29.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -142.9 29.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 107' ' ' LYS . 10.1 tptt 75.87 56.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' CE ' ' OD1' ' A' ' 13' ' ' ASP . 4.8 mtpt 38.38 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.12 71.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 127.04 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.49 117.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.35 -168.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 50.77 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 t -165.75 91.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.44 121.8 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.55 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 t 62.72 132.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -148.51 -56.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -157.72 169.7 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.48 -153.07 18.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.44 1.088 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -75.08 72.67 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 110.05 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.67 51.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -165.94 -55.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 66' ' ' LEU . 75.6 mt -41.53 -28.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' N ' ' C ' ' A' ' 7' ' ' GLY . 5.5 m170 -68.15 -55.98 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -64.19 -21.19 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 62' ' ' LEU . 96.8 mt -79.27 -40.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CD2' ' A' ' 16' ' ' HIS . 43.4 t -64.71 -36.82 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.44 -47.36 82.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.2 mtp -62.23 -32.97 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CD2' HG12 ' A' ' 12' ' ' VAL . 9.0 m-70 -60.19 -21.59 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -87.55 168.72 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -119.93 -37.92 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 m -59.34 -52.92 63.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.7 p -110.51 -19.74 12.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.57 -155.81 1.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -86.93 176.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -149.06 91.84 4.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.1 11.23 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -117.17 150.73 46.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 65.47 6.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -53.11 -40.39 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 65.67 139.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.79 -45.31 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -159.36 -51.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.74 173.92 22.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.458 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 5.7 m 53.58 90.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.6 m -59.1 106.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 32' ' ' SER . 29.8 m-85 -90.39 75.35 6.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -14.39 59.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -111.0 53.7 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.1 p -150.25 154.63 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CE1' ' O ' ' A' ' 100' ' ' TYR . 6.8 p90 -133.98 133.68 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.54 151.32 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.35 82.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -70.74 -36.27 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -37.72 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.69 -54.61 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 44.9 t -48.11 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.16 -44.1 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.596 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.3 t90 -57.89 -67.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' TRP . 18.7 mt -37.76 -47.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.86 -53.16 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' TRP . 16.8 t -60.71 -30.86 70.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.2 t -69.79 -15.04 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.0 t30 81.86 18.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.8 m-30 -91.44 -23.09 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 58' ' ' GLU . . . -130.64 160.0 35.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.75 -34.02 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' ARG . 4.3 t -141.6 158.77 43.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 6.1 mpt_? -38.58 -34.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.14 -67.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 29.7 mt-10 -43.18 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -77.95 -45.43 23.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 56' ' ' ARG . 53.5 t -52.48 -44.21 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -41.38 72.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -56.85 -38.38 72.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . . . -62.77 -59.8 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 p -53.74 -33.39 55.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -44.37 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 11.8 mt -62.37 -43.41 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.455 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 20.5 mtm -57.95 -38.55 76.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HG2' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -59.29 -49.85 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 2.8 mm-40 -63.84 -10.99 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t30 83.78 36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -97.71 -26.29 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.47 174.62 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.9 157.28 32.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 130.99 13.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.6 t -124.78 163.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . 87.51 -94.91 2.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' MET . 0.4 OUTLIER -177.88 -48.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 3.0 tpt85 -40.93 -48.36 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 19.7 m -64.99 -38.41 90.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 77' ' ' VAL . 24.4 mmt -64.86 72.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' SER . . . -110.14 -78.25 0.98 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -108.9 39.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 84' ' ' ARG . 1.3 mp -61.47 164.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 83' ' ' ILE . 87.2 mmt-85 -139.25 154.34 47.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -107.41 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -179.34 82.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER 39.88 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 88' ' ' LEU . 1.3 tm? 75.59 2.16 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 68' ' ' GLU . . . -41.73 98.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.2 mt-10 -137.13 27.46 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.82 139.21 51.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 37.5 t80 -174.23 162.41 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 8.1 mt -129.85 176.34 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -139.46 68.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.72 -165.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 m -99.93 -20.46 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -79.41 -36.92 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 120.72 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.25 158.32 17.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 92' ' ' PHE . 91.4 m-85 -156.62 137.64 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.477 HG22 ' CD ' ' A' ' 73' ' ' ARG . 14.8 t -124.24 174.24 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 38.2 m-85 -83.48 133.9 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -78.64 105.78 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 106.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.8 t -160.54 44.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.91 -174.42 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -65.74 120.63 13.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -176.5 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER 40.08 32.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 108' ' ' LYS . 14.0 p -45.38 98.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 109' ' ' LYS . 73.4 m 64.48 150.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 55.2 m -86.04 -64.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp 72.54 156.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 76.69 165.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.6 t 63.54 116.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -139.35 -86.21 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.06 19.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.26 157.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.9 m 44.02 90.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -80.5 167.86 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -166.17 101.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.89 -47.65 13.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -98.94 84.62 3.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -85.8 -49.17 8.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.77 -50.39 66.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -55.75 -60.45 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -47.05 -29.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -82.28 -44.3 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.534 HG12 ' CG ' ' A' ' 52' ' ' PHE . 22.6 mt -64.06 -56.89 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' A' ' 71' ' ' PHE . 82.3 t -43.74 -56.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.0 -47.19 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -63.01 -55.22 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 29.3 mtp -54.01 -25.34 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CD2' HG13 ' A' ' 12' ' ' VAL . 3.3 m-70 -70.01 -17.19 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.569 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.95 160.98 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -112.11 -9.15 13.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.438 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -84.43 -81.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.1 p -87.99 -12.29 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.03 -150.51 6.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -87.52 157.28 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -128.62 89.18 50.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 105.09 2.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.62 132.7 34.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 64.07 6.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -68.8 95.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.438 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 18.8 mtp -42.78 112.21 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -93.32 111.48 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 73.22 -60.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' HA2' ' CE ' ' A' ' 28' ' ' MET . . . 174.61 58.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.15 144.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.7 m -84.83 141.62 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -106.13 21.28 17.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt 70.4 -168.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -67.83 106.9 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.429 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 25.6 p -145.83 153.0 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.647 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 37.0 p90 -133.75 135.71 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 96' ' ' SER . 30.0 mt -53.8 158.17 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 44' ' ' VAL . . . -69.87 -32.16 70.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -35.02 67.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -51.75 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.647 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.06 -62.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 48.9 t -37.21 -60.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -53.18 -49.66 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 74.7 t90 -50.97 -60.51 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 43' ' ' LEU . 6.6 mt -39.28 -42.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 56' ' ' ARG . 21.4 mt -67.23 -61.27 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -53.27 -25.82 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.589 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.5 t -75.05 -13.94 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.3 t-20 82.17 18.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -97.27 -13.57 21.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 154.04 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.03 -29.85 16.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 167.96 28.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' N ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -43.69 -31.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.322 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -64.84 -68.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -39.63 -44.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -60.85 -47.09 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 20.7 t -54.15 -37.23 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -77.12 -41.42 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.34 -36.24 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 43' ' ' LEU . . . -66.55 -57.95 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -53.94 -32.32 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -39.17 93.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 3.3 mt -67.11 -44.37 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.436 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 8.6 mtm -57.52 -37.73 73.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -46.48 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.605 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mm-40 -61.42 -12.08 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 44.4 t30 86.86 28.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -94.83 -21.2 18.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.46 171.02 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.18 153.28 29.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.418 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.3 Cg_endo -75.02 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 99' ' ' LEU . 34.3 m -124.87 174.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 -167.78 40.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.19 -34.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -41.77 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.3 p -73.45 -149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.471 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 50.5 mmm 64.18 53.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.98 103.99 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 40.41 68.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 2.7 mp -80.97 122.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.6 136.86 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.6 m -125.17 54.14 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.66 -58.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.33 162.98 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -41.9 -59.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 56.17 165.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -137.92 51.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.41 ' CD ' ' C ' ' A' ' 91' ' ' GLN . 5.1 tp60 -87.64 115.2 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 27.2 t80 -178.21 170.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -136.38 168.31 19.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -137.93 76.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.82 -170.92 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.458 ' O ' ' CD2' ' A' ' 39' ' ' LEU . 4.0 m -92.4 -36.81 12.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -65.47 -27.82 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.8 117.3 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 1.4 mt -106.65 173.75 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 70.0 m-85 -165.09 141.73 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.47 HG22 ' CD ' ' A' ' 73' ' ' ARG . 14.7 t -129.47 163.16 26.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.35 131.23 36.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -71.76 168.4 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -72.37 101.56 2.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -111.76 -156.38 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -52.78 167.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.87 110.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.58 128.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -41.43 111.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.8 p -171.88 147.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.21 128.87 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -95.53 142.19 28.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.29 173.64 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.06 138.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -162.84 164.74 25.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.69 171.34 27.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.5 p 179.03 138.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.42 163.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 p -177.16 158.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.48 -66.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.68 177.28 31.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 7' ' ' GLY . 1.7 m 41.1 42.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.69 63.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 171.96 -31.63 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 77.8 mt -78.44 -22.26 47.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -74.4 -45.09 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.636 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.13 -24.89 65.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 110.275 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.559 HG12 ' CD2' ' A' ' 52' ' ' PHE . 85.7 mt -79.18 -46.8 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 8' ' ' LEU . 90.1 t -60.31 -49.83 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.35 -44.69 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 2.4 tttt -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.609 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 33.8 mtp -61.36 -19.31 61.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.87 -10.94 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -101.03 164.21 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -113.09 -30.99 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -68.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -101.14 -21.22 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 14' ' ' LYS . . . -71.94 -152.69 1.46 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.513 HD11 ' CG ' ' A' ' 46' ' ' TRP . 1.2 tp -84.49 162.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -132.4 88.39 39.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.417 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.03 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -92.74 157.33 39.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 61.75 5.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -70.19 108.89 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 ttp -45.28 138.89 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.16 104.27 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 48.11 49.27 17.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.98 98.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER 171.33 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 32' ' ' SER . 32.7 m 47.53 97.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' OH ' ' CG1' ' A' ' 77' ' ' VAL . 13.8 m-85 -83.48 120.25 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.25 139.43 30.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm 67.2 47.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.417 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 1.8 p -142.59 130.54 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 41.7 p90 -115.85 135.22 54.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.1 mt -55.01 145.47 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.512 ' O ' ' CG2' ' A' ' 44' ' ' VAL . . . -58.15 -33.98 71.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -28.14 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -52.73 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.644 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -64.74 -58.96 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 40' ' ' GLY . 54.8 t -39.17 -55.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 76.0 t90 -52.54 -59.27 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 43' ' ' LEU . 7.2 mt -40.42 -44.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 56' ' ' ARG . 36.2 mt -62.8 -61.16 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -53.32 -27.25 22.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.7 m -74.7 -14.37 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' SER . 3.8 t-20 81.26 19.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 21.7 m-85 -96.93 -13.76 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.88 156.39 48.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.6 -42.95 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.2 p -142.11 162.99 34.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' HD13 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -38.72 -35.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -42.45 -45.45 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -61.51 -45.18 95.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.0 t -56.63 -37.98 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -73.87 -40.04 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.79 -35.87 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.23 -58.83 5.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -52.03 -35.3 46.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -38.98 93.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 12' ' ' VAL . 9.2 mt -68.32 -46.57 69.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.403 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 4.5 mtm -54.03 -36.14 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -47.55 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.2 mm-40 -61.56 -12.21 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 84.9 38.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -104.33 -26.45 12.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.25 169.45 18.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -137.95 155.34 74.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.483 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -74.97 -9.87 21.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 4.5 t 59.16 164.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.504 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -58.15 -159.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' CG1' ' OH ' ' A' ' 34' ' ' TYR . 10.3 m 39.86 -149.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -39.02 151.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 80' ' ' MET . 3.7 t 61.49 99.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 79' ' ' SER . 0.0 OUTLIER 162.7 41.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.83 -117.33 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.46 51.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 2.5 mp -79.57 128.1 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -150.58 130.3 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -69.56 61.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.32 -53.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.67 130.89 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.03 -171.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' PHE . 14.7 pt-20 -127.69 29.51 5.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.25 89.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 100' ' ' TYR . 11.6 t80 -178.68 123.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -93.94 161.4 14.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 2.1 t70 -123.2 77.78 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.85 -174.76 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 m -83.61 -36.75 23.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 17.3 p -62.72 -68.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.08 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.4 139.03 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 92' ' ' PHE . 69.8 m-85 -128.85 141.95 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 73' ' ' ARG . 13.6 t -124.71 173.6 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 10.5 m-85 -88.9 128.62 35.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . . . -71.74 179.18 3.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.97 110.01 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.3 t -172.02 56.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.035 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 108' ' ' LYS . 7.2 p90 -175.59 178.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -43.46 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 106' ' ' TYR . 11.0 tttt -170.72 143.59 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -68.3 178.11 2.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 p 41.58 41.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 t -149.71 132.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -176.03 166.6 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.43 113.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -174.21 145.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.4 p -60.26 167.45 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -168.97 118.25 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.66 172.66 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.76 154.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.91 109.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 63.31 131.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -130.81 10.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 p -68.98 80.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -87.93 -44.73 10.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.45 11.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt -56.15 -48.7 75.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.16 -31.01 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.566 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.99 -40.61 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.547 HG12 ' CD2' ' A' ' 52' ' ' PHE . 8.0 mt -65.07 -55.88 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 16' ' ' HIS . 61.3 t -41.82 -55.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -45.84 -53.03 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -50.87 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.573 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 21.5 mtp -57.92 -38.16 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.578 ' CD2' HG11 ' A' ' 12' ' ' VAL . 3.4 m-70 -55.12 -20.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.04 161.32 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -111.36 -24.41 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 -66.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 p -92.07 -5.85 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.37 -164.27 38.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' HD3' ' A' ' 24' ' ' PRO . 1.9 tt -73.95 177.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 71.23 71.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HD3' ' CG2' ' A' ' 22' ' ' ILE . 18.3 Cg_endo -74.99 63.38 5.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -71.84 161.38 79.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 40.32 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mtp -44.01 105.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -53.57 56.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -151.31 -46.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.36 58.83 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.435 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -179.95 150.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -104.29 -25.25 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 32' ' ' SER . 69.7 m-85 54.44 30.24 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 42.42 48.26 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm 63.44 118.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.26 155.59 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 100' ' ' TYR . 54.6 p90 -114.35 132.68 56.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 99' ' ' LEU . 20.6 mt -53.79 158.1 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.9 -32.44 77.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -34.34 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -47.84 83.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 8.3 tp -60.19 -50.59 73.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 HG13 ' CB ' ' A' ' 59' ' ' ALA . 38.1 t -51.05 -73.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.21 -42.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.7 t90 -61.53 -67.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.3 mt -37.79 -47.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.54 -57.31 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -54.2 -28.63 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 67.4 m -79.29 -13.27 59.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 24.3 t-20 81.13 21.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -91.24 -21.43 21.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.81 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.89 -37.29 9.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.9 159.05 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.85 -34.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -61.69 -67.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -41.34 -44.28 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 44' ' ' VAL . . . -62.62 -44.2 96.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.8 t -57.94 -40.45 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.56 -41.89 65.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' CD2' HD12 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.65 -29.61 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.578 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -70.89 -59.04 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 p -54.11 -34.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -36.97 82.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 4.0 mt -69.58 -49.21 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.46 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 17.4 mtm -54.31 -40.37 67.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -48.47 73.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.6 mm-40 -60.62 -12.61 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 85.83 41.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -108.56 -23.79 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.4 172.87 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.516 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -152.85 155.05 32.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.01 133.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.482 ' CG2' HG23 ' A' ' 101' ' ' THR . 85.1 t -123.46 157.93 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.05 164.83 2.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 m -50.63 -43.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 97' ' ' THR . 29.4 mmt180 -66.51 -178.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 1.6 p 69.48 -61.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.454 ' N ' ' OG ' ' A' ' 79' ' ' SER . 3.3 mtt -47.43 112.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 82' ' ' ALA . . . -132.62 70.53 0.52 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . 87.08 -41.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.241 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' CA ' ' A' ' 80' ' ' MET . 2.7 mm 66.29 -140.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER 70.86 105.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -68.84 65.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.969 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . -82.08 -109.59 0.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -87.7 171.98 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.71 -56.64 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 48.66 -174.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' PHE . 11.5 pt-20 -137.17 19.33 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -36.77 96.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 43.8 t80 -178.37 159.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.48 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 9.4 mt -126.32 164.03 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -129.07 65.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.04 -175.24 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m -72.79 -35.42 67.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 76.0 p -84.73 73.81 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -175.98 75.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.562 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 2.0 mm? -68.82 166.17 18.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 44.2 m-85 -168.42 138.44 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 75' ' ' VAL . 13.9 t -129.31 163.68 25.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -77.91 129.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -70.4 -175.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -55.49 -21.5 16.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.582 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER 51.04 100.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 105' ' ' SER . 50.9 p90 40.56 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD2' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -54.06 118.78 4.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 132.01 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.6 pttt -68.76 117.65 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 91.7 t -154.1 128.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.61 96.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 82.9 p -178.54 151.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.62 109.71 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -176.45 132.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.43 156.01 38.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.67 97.22 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 83.96 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.3 87.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.12 136.45 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.434 1.084 . . . . 0.0 110.996 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -169.8 111.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.14 93.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.85 -127.63 2.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.1 p -39.43 -65.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 38.05 35.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.85 -40.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 82.4 mt -81.26 -19.4 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -72.62 -52.18 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.638 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.48 -29.4 70.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.486 HG12 ' CG ' ' A' ' 52' ' ' PHE . 94.4 mt -73.61 -50.47 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 16' ' ' HIS . 85.5 t -56.74 -46.5 83.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.58 -47.88 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -60.33 -42.73 96.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 34.3 mtp -67.78 -26.55 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' CD2' HG11 ' A' ' 12' ' ' VAL . 2.6 m-70 -65.58 -12.68 55.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.98 167.09 11.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -113.95 -30.03 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -66.37 -69.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -100.61 4.63 43.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.39 170.73 19.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 3.1 tp -40.23 156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -130.25 88.77 46.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 61.7 132.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.45 5.45 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -88.15 114.61 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 mtp -47.3 110.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -69.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -158.19 40.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.71 112.65 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m 64.3 147.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -72.91 137.12 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -98.39 35.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.59 -167.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -66.37 100.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.434 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 2.3 p -137.68 133.82 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 26.2 p90 -121.84 130.09 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.0 mt -44.35 157.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.04 63.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -36.07 76.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.16 94.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.628 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -62.45 -70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 43' ' ' LEU . 2.6 t -31.9 -66.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 44' ' ' VAL . 9.1 t0 -41.94 -56.74 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 86.9 t90 -46.85 -62.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.02 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD1' HD22 ' A' ' 43' ' ' LEU . 7.7 mt -39.75 -42.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' ' 56' ' ' ARG . 30.7 mt -68.1 -58.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -52.56 -30.47 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 24.4 m -72.9 -13.26 61.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' SER . 49.6 t30 80.06 20.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 20.7 m-85 -94.63 -15.98 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.22 49.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.84 -31.7 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.9 165.61 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' N ' HD13 ' A' ' 48' ' ' ILE . 2.7 mpt_? -41.67 -33.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -63.21 -69.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -39.12 -45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' CB ' HG13 ' A' ' 44' ' ' VAL . . . -61.33 -48.61 80.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 24.7 t -51.66 -38.35 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.27 -40.91 42.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.56 -32.23 73.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -69.1 -58.69 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 p -54.93 -31.34 60.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.16 86.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.7 mt -68.68 -50.21 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 8.0 mtm -50.08 -35.94 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -45.44 65.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.3 mm-40 -61.26 -11.99 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 21.7 t30 86.93 31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.6 m-85 -98.24 -31.78 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.52 170.98 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.476 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -152.71 149.88 23.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 99' ' ' LEU . 8.1 m -88.48 149.5 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' O ' ' CG1' ' A' ' 77' ' ' VAL . . . -73.41 91.46 0.65 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 76' ' ' GLY . 8.0 m -156.55 -59.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -135.48 -55.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.54 86.65 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.23 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.91 -88.23 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.05 68.04 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.0 mm -92.72 137.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.76 116.05 18.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.7 p -110.61 60.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.31 -66.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -57.2 177.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 18.54 17.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.49 171.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -122.63 46.7 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 110.02 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 50.4 t80 -178.39 145.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -112.86 163.29 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.7 69.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.43 176.19 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -69.39 -46.45 66.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 98' ' ' ALA . 33.5 p -53.21 -71.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -38.83 126.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.438 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -121.62 167.15 13.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.442 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 72.8 m-85 -159.92 143.8 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 15.1 t -124.6 -172.38 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -103.35 132.4 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -72.42 167.96 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -45.78 -27.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER 60.05 152.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.958 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' LYS . 52.8 p90 -42.02 165.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -39.45 117.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.361 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 14.1 tmtt? -177.2 128.42 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -40.6 121.85 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.7 p -172.57 136.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.62 94.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 157.34 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.34 110.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.55 154.73 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.75 160.49 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.35 97.96 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.137 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.52 8.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.67 139.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.14 167.7 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t 63.3 168.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.46 142.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.09 -126.33 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLY . 88.3 p 42.03 48.65 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 p -69.38 60.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . 161.37 -59.58 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.6 mt -43.22 -31.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -44.08 69.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -66.1 -23.76 66.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.505 HG22 ' CE2' ' A' ' 52' ' ' PHE . 70.1 mt -77.82 -43.04 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 71' ' ' PHE . 77.6 t -64.03 -43.12 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -55.75 -44.32 77.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -61.65 -43.16 99.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.598 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -66.73 -30.52 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -61.23 -19.13 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.654 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -89.7 165.75 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -112.65 -40.77 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 m -60.09 -67.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.6 p -90.71 -24.36 20.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -67.91 -163.53 2.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.82 178.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -153.34 92.54 3.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 m -109.11 128.08 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.0 30.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' MET . 18.2 p-10 -175.28 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER 46.12 97.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 18.5 mm-40 -105.19 98.53 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 40.29 72.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.14 161.11 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER 60.73 80.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.963 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 m -53.73 126.79 23.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' ' 29' ' ' GLU . 19.3 m-85 -105.1 98.56 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -73.19 -76.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 37' ' ' THR . 11.5 mtpp -67.64 70.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 15.1 p -157.82 144.43 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -127.55 128.24 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PHE . 20.6 mt -39.92 144.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.39 -36.42 91.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -67.98 -42.03 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -50.36 -44.03 54.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.3 tp -64.55 -54.69 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 63.2 t -47.5 -67.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -47.43 -46.55 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.1 t90 -53.43 -64.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 32.4 mt -41.64 -52.24 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.7 -66.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -56.7 -28.77 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -62.84 -13.77 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.1 t30 80.74 10.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 5.2 m-30 -92.1 -16.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 58' ' ' GLU . . . -140.2 159.1 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.61 -31.77 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 162.67 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 2.9 mtp180 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -56.2 -70.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 15.1 mt-10 -43.39 -38.08 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.53 -49.88 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 57' ' ' LEU . 4.3 t -42.11 -48.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -65.72 -48.69 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.518 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mm? -45.47 -33.36 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -72.04 -57.61 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -55.08 -28.99 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.34 -42.95 78.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 11.0 mt -68.38 -44.03 76.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 8.3 mtm -58.8 -38.15 77.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.32 74.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 73.1 mm-40 -63.46 -10.09 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t30 84.3 34.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.4 m-85 -103.34 -6.13 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -168.73 165.03 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.582 ' CD ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -147.2 153.81 45.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.0 138.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.91 150.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 77' ' ' VAL . . . -48.39 165.02 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.8 OUTLIER 54.75 167.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 97' ' ' THR . 27.8 mmt180 49.1 -91.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.1 t -59.4 -153.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.1 mtt 55.78 56.27 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.58 102.95 2.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 50.09 71.58 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.774 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.2 mm -80.67 130.57 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 134.61 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 p -108.93 57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.24 -55.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -103.94 168.96 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.68 -55.63 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 45.95 -167.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' PHE . 12.5 pt-20 -125.82 20.12 7.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -38.26 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 39.1 t80 -177.56 157.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 5.6 mt -117.74 -177.17 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.67 71.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.58 -179.31 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.8 p -93.39 21.25 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.464 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 23.7 p -125.46 -44.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 100' ' ' TYR . . . -59.9 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.48 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 4.2 mm? -72.86 166.63 22.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 86.4 m-85 -162.22 136.95 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.582 HG23 ' CD ' ' A' ' 73' ' ' ARG . 14.5 t -119.5 178.37 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -88.21 136.13 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . . . -79.5 117.04 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.41 109.62 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.419 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 0.2 OUTLIER 177.48 68.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 p90 178.39 169.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -49.37 116.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 171.8 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -110.35 175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.2 112.66 39.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.29 114.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.97 149.28 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 141.18 41.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -172.85 91.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 98.0 p -167.04 136.33 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.56 -159.54 14.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.48 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.563 1.823 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.7 p -139.08 -58.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -171.7 141.77 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 61.17 168.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -79.97 172.18 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.7 -100.9 2.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 p -52.52 143.17 16.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.026 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p 174.82 -50.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -68.34 -39.02 87.85 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.4 mt -44.19 -26.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' N ' ' C ' ' A' ' 7' ' ' GLY . 1.3 t-80 -63.95 -46.66 83.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -66.15 -23.17 66.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG22 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mt -80.35 -45.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CD2' ' A' ' 16' ' ' HIS . 56.9 t -56.18 -50.34 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -50.87 -47.85 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.97 -48.09 82.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.579 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.2 mtp -63.09 -29.96 71.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 5.1 m-70 -63.47 -21.31 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -83.46 170.79 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -117.13 -39.03 3.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -90.43 -24.85 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.47 -173.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 1.2 tt -70.23 -178.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -153.75 94.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -59.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.96 96.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 56.27 4.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -80.27 58.54 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.02 164.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.29 -52.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -156.51 66.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 -52.33 4.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 141.28 37.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 m -107.61 82.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -48.42 158.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -106.35 107.9 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 52.79 89.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 p -147.93 140.01 24.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 28.2 p90 -129.29 135.48 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.2 mt -48.05 147.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.94 -26.03 64.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -80.36 -38.17 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.746 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -54.1 -43.56 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 5.3 tp -68.06 -56.55 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 77.0 t -47.03 -64.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.74 -45.55 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.579 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 92.2 t90 -56.44 -67.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' TRP . 13.1 mt -37.62 -45.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.6 -55.54 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -57.5 -30.83 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.574 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.1 m -72.62 -13.56 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' SER . 38.9 t30 80.73 18.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 15.9 m-85 -88.5 -25.15 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB1' ' CB ' ' A' ' 58' ' ' GLU . . . -130.61 159.39 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.8 -31.12 10.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' LEU . 6.8 t -144.03 157.89 44.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -38.5 -32.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -63.35 -68.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 28.8 mt-10 -42.02 -31.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -79.5 -44.96 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 40.6 t -53.24 -44.26 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -43.58 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -55.22 -38.39 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -65.38 -57.75 7.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -53.07 -31.76 43.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.944 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -65.56 -45.82 81.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CB ' HD22 ' A' ' 72' ' ' LEU . 5.4 mt -60.33 -46.06 91.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.435 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 20.5 mtm -56.58 -43.34 79.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -47.55 85.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.5 mm-40 -61.98 -12.21 17.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 31.9 t30 85.16 36.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.2 m-85 -103.51 -18.33 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -158.37 169.69 23.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -145.83 156.98 51.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.99 132.35 15.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -130.32 162.06 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . 86.11 166.74 42.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 m -71.95 -31.32 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.78 -62.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' CG ' ' A' ' 80' ' ' MET . 8.1 t -72.0 -168.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.46 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 1.5 ptp 41.51 -163.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 129.24 -32.6 3.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . -166.15 -47.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 2.1 mp 40.53 -127.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' H ' ' CG2' ' A' ' 83' ' ' ILE . 22.1 mmt180 63.7 17.12 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.52 79.59 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' ASP . . . -56.92 -109.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' GLY . 3.6 p-10 39.0 -157.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 25.4 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.64 175.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' PHE . 10.6 mt-10 -135.73 46.82 2.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 77.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 27.0 t80 -156.5 172.83 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.0 mt -141.7 173.77 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.0 74.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.93 -177.54 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -92.56 31.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 p -134.15 -51.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -46.27 123.19 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.8 144.9 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 66.7 m-85 -145.22 138.67 26.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 8.6 t -127.59 165.84 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 69.4 m-85 -82.77 127.34 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 73' ' ' ARG . . . -71.25 149.1 46.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 105' ' ' SER . 5.3 mt-10 79.97 -52.05 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 1.4 m 80.69 153.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.522 ' CD2' ' CE1' ' A' ' 16' ' ' HIS . 8.4 p90 -151.71 -170.02 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -50.07 100.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.2 84.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -72.61 144.22 47.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.9 t -142.5 122.38 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.22 155.27 16.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 157.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.14 150.17 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -179.99 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.7 p -42.51 159.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -174.49 152.25 14.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.58 6.68 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.56 148.63 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.02 88.24 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m 60.61 162.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.4 -156.66 15.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -76.22 57.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -72.73 -14.18 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.5 -27.01 33.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.15 -26.16 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.27 -47.31 86.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.49 -22.91 66.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 52' ' ' PHE . 80.6 mt -78.17 -43.01 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 71' ' ' PHE . 76.2 t -63.38 -48.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -50.14 -42.19 50.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.4 tttt -63.7 -49.4 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.628 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.8 mmm -58.59 -36.32 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CD2' HG12 ' A' ' 12' ' ' VAL . 16.3 m-70 -58.01 -29.85 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.7 170.77 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -118.5 -41.55 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -58.99 -58.33 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.9 p -101.05 -19.74 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -72.26 -173.0 20.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -67.28 -178.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -148.35 91.29 4.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -64.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.28 169.75 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 63.52 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -72.33 125.68 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.61 132.87 38.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -108.79 -55.43 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -143.91 -65.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.64 -58.63 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.57 117.87 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' LYS . 95.3 m-85 -62.81 83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -46.73 -26.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' C ' ' CG2' ' A' ' 37' ' ' THR . 11.3 mtmm -105.92 -169.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.437 ' OG1' ' CD2' ' A' ' 99' ' ' LEU . 1.1 p 63.28 -174.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.508 ' CE2' ' O ' ' A' ' 100' ' ' TYR . 6.9 p90 -176.39 132.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' PHE . 11.1 mt -39.71 140.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.76 -31.8 72.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -68.18 -38.38 81.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -34.95 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -74.65 -45.82 42.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 56' ' ' ARG . 43.4 t -56.13 -67.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -44.06 -37.84 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 83.3 t90 -63.86 -68.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 37.5 mt -39.74 -34.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.3 mt -67.01 -54.67 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' TRP . 12.5 t -69.89 -18.0 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.9 m -73.49 -14.13 61.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.8 t30 82.62 8.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE2' HG12 ' A' ' 11' ' ' ILE . 4.6 m-30 -92.49 -17.26 24.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 151.3 50.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.77 -24.99 14.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.67 166.41 32.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -41.31 -34.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -59.1 -74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -39.91 -41.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -62.85 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' LEU . 13.6 t -49.87 -41.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -45.85 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mm? -49.87 -32.11 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.592 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . -73.52 -57.53 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -55.23 -23.08 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 10.2 mt -69.85 -44.9 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.43 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 12.6 mtm -55.9 -38.69 70.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -44.26 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -64.8 -8.46 15.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 82.2 28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 14.9 m-85 -92.64 -29.83 15.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -143.01 170.7 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -155.12 151.85 23.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' HB2' ' CA ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -75.08 143.32 28.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' GLY . 1.5 t -101.03 176.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.528 ' O ' ' CG2' ' A' ' 77' ' ' VAL . . . -42.58 169.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 76' ' ' GLY . 10.9 m 50.21 -152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.563 ' O ' ' CB ' ' A' ' 79' ' ' SER . 4.6 mmt180 -36.5 153.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.578 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 m 90.32 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.469 ' CA ' ' HB2' ' A' ' 74' ' ' PRO . 1.1 ppp? -92.33 171.04 9.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.46 ' N ' ' SD ' ' A' ' 80' ' ' MET . . . 122.26 -92.13 0.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.53 68.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 91' ' ' GLN . 2.3 mp -83.57 132.78 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.84 115.4 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 m -108.56 58.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.17 -56.84 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.11 179.54 6.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.15 -44.45 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.81 -170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' PHE . 10.5 pt-20 -127.44 23.98 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.467 ' HG3' ' CG2' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -39.54 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 13.0 t80 -179.65 164.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 -175.11 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.83 69.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.01 -171.49 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 m -87.86 -24.3 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 11.4 p -71.47 -63.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.28 135.54 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 5.1 mt -127.93 158.22 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 90.1 m-85 -162.59 131.02 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 102' ' ' PHE . 9.1 t -113.18 -159.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.449 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 16.4 m-85 -107.61 132.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.494 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -77.17 163.23 26.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.75 105.32 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.06 -160.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -51.9 173.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -41.06 111.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HG3' ' CE1' ' A' ' 16' ' ' HIS . 14.5 tmtt? -173.56 132.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.8 125.4 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.5 p -163.62 -43.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 m 55.07 170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.2 m -136.18 -65.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -137.0 177.93 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.41 165.6 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 128.98 14.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.05 176.28 31.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.29 6.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 p -165.29 168.56 16.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.5 p -174.85 170.03 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 111.043 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.6 161.17 41.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -98.21 -83.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.32 78.11 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -110.21 26.84 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -52.97 17.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' ILE . . . -89.44 -37.67 6.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 65' ' ' MET . 6.7 mp -51.87 -62.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -40.89 -30.63 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -87.91 -41.14 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.583 HG12 ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -66.43 -55.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 71' ' ' PHE . 57.4 t -41.17 -52.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.87 -47.69 51.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.3 tttp -61.84 -53.36 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.614 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.0 mmm -55.39 -33.13 63.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.13 -17.19 57.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.73 156.67 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -109.07 -15.07 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -68.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.4 p -92.19 -6.99 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.83 -166.21 42.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.1 178.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -149.54 91.61 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.07 137.51 21.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -133.19 158.08 76.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.11 23.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -116.9 -39.43 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.96 109.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -132.89 116.64 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.64 -68.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.54 -72.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.87 152.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -127.74 118.17 23.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.444 ' HB3' ' CG2' ' A' ' 37' ' ' THR . 23.6 m-85 -95.64 98.06 10.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -78.56 -68.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 59.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 34' ' ' TYR . 15.3 p -145.06 148.53 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 100' ' ' TYR . 43.8 p90 -129.58 135.74 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.3 152.87 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' HA2' ' CD1' ' A' ' 100' ' ' TYR . . . -60.72 -36.33 91.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -70.38 -39.05 74.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -51.69 -40.46 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.98 -51.75 43.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 89.1 t -51.57 -63.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -50.42 -44.04 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.9 t90 -56.81 -67.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' TRP . 27.6 mt -38.11 -50.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mt -61.33 -57.51 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 t -54.71 -25.52 27.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 30.2 m -83.8 -9.12 59.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.1 t30 78.25 19.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 14.6 m-85 -88.8 -21.73 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.42 154.65 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.88 -35.39 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -146.05 160.76 41.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -38.79 -35.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -60.37 -68.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -42.41 -41.49 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -64.4 -43.96 92.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 24.1 t -56.54 -41.48 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -71.36 -43.25 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -62.98 -32.18 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -70.99 -57.94 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 p -51.34 -31.19 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.497 ' C ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.42 -52.82 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 4.1 mt -51.42 -49.0 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' HD3' ' A' ' 74' ' ' PRO . 22.7 mtm -53.85 -50.26 66.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -53.58 -47.3 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.6 mm-40 -61.34 -12.37 13.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 5.0 t-20 84.22 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 17.7 m-85 -95.53 -26.31 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.19 172.06 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.523 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -153.05 155.97 32.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.429 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.98 143.82 29.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 101' ' ' THR . 21.1 t -137.95 171.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.5 -89.51 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER 177.82 -49.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 28.3 mmt180 -40.3 -30.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 80' ' ' MET . 4.5 t -111.36 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.444 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.5 OUTLIER 37.89 -159.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.37 -23.98 32.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.84 -76.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 2.2 mp 63.2 143.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -120.14 81.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -80.65 71.83 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.73 -53.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -83.52 -176.8 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.16 20.15 5.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.83 158.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.82 55.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -76.37 112.36 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 40.7 t80 -178.96 132.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.16 158.45 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.75 69.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 165.7 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.8 m -65.04 -44.22 89.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.42 ' CB ' ' HG3' ' A' ' 78' ' ' ARG . 21.4 p -52.39 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.93 118.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.47 161.18 15.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.682 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 79.4 m-85 -147.7 142.58 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.461 HG22 ' CG2' ' A' ' 75' ' ' VAL . 14.6 t -131.14 168.08 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 18.8 m-85 -78.89 132.16 36.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -73.52 162.39 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.1 mm-40 -37.29 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.0 t -155.04 149.42 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 107' ' ' LYS . 10.9 p90 -93.93 175.7 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' O ' ' CD2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -41.27 153.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.95 136.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 161.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.7 t 63.35 80.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p 177.52 169.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 103.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -72.62 133.21 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -171.84 70.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.69 171.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.85 -123.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 140.2 25.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.0 p -100.86 87.35 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.75 167.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -164.09 154.69 15.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -151.13 173.03 14.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.78 -88.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 5' ' ' SER . 6.0 t -82.85 51.72 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 110.037 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -78.72 58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.44 -40.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 75.9 mt -69.01 -55.0 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.603 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -51.27 -30.66 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 2.2 tpp180 -65.88 -12.27 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.582 HG21 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mt -109.81 -35.46 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 2.1 m -64.41 -41.65 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.37 -44.95 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -34.07 74.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.603 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -72.8 -29.74 63.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -61.98 -16.1 48.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' THR . 16.9 t0 -88.71 156.22 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.9 t -115.31 -10.24 12.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m -96.88 -44.44 7.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.2 p -119.05 12.41 12.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.45 -168.51 18.6 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.14 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.39 179.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -144.29 89.9 6.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 84.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.7 m -73.18 135.6 79.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 64.4 6.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.67 88.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 63.7 mtp -42.84 120.74 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.66 71.51 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.72 78.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.81 55.99 16.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 2.2 m -164.07 166.45 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -148.84 -49.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 32' ' ' SER . 22.0 m-85 58.54 31.4 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.87 -169.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 120.41 12.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.427 ' N ' ' HB2' ' A' ' 24' ' ' PRO . 35.3 p -145.55 158.83 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 40.3 p90 -125.12 130.49 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.2 mt -50.1 146.65 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.86 53.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -67.0 -38.39 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 tp -64.26 -60.72 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 79.5 t -44.67 -59.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.58 -51.52 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 88.7 t90 -50.99 -66.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.049 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 46' ' ' TRP . 15.3 mt -35.78 -53.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.68 -61.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t -52.81 -28.47 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 15.4 m -72.95 -14.87 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.5 t30 81.62 15.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 11' ' ' ILE . 19.9 m-85 -88.88 -16.94 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 58' ' ' GLU . . . -135.59 162.66 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . . . -101.78 -34.33 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 162.49 38.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -39.56 -34.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.346 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -60.52 -69.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 26.6 mt-10 -41.24 -36.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -75.96 -44.92 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 25.3 t -51.7 -46.17 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -44.26 67.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.68 -40.99 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -62.41 -58.69 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -55.2 -29.52 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.465 ' CE ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.0 mt -70.35 -42.83 71.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.54 -37.8 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -47.44 77.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 35.1 mm-40 -60.57 -12.3 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 26.2 t30 85.72 25.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -88.49 -32.97 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -140.99 171.05 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -154.21 153.68 28.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 158.14 42.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.9 57.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.437 ' O ' ' CG2' ' A' ' 77' ' ' VAL . . . 46.74 -142.29 5.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 76' ' ' GLY . 10.9 m 47.05 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -37.73 -51.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.447 ' HA ' ' CD1' ' A' ' 93' ' ' LEU . 14.9 m -55.62 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.439 ' HA ' ' CG1' ' A' ' 83' ' ' ILE . 3.4 mtt 60.68 50.68 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 82' ' ' ALA . . . -84.25 81.61 1.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . 81.34 65.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.439 ' CG1' ' HA ' ' A' ' 80' ' ' MET . 35.3 mm -92.72 113.77 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 86' ' ' GLY . 5.1 mpt_? -156.21 28.02 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.53 29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 84' ' ' ARG . . . -63.13 -108.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -112.97 173.73 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -60.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 45.35 -168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' PHE . 9.4 mt-10 -124.16 42.49 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -63.15 79.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 12.3 t80 -163.77 168.31 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 79' ' ' SER . 5.0 mt -136.24 169.76 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -133.36 70.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.26 167.64 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 m -59.67 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' ALA . 3.0 p -39.62 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.19 138.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 mt -136.62 158.17 45.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 87.8 m-85 -159.78 135.76 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 11.8 t -113.54 -167.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.458 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.6 m-85 -101.06 130.46 47.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -76.34 175.13 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 10.8 mm-40 -41.68 -29.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' GLU . 0.6 OUTLIER 60.19 148.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -37.76 154.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.33 127.14 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.47 124.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.66 115.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.8 p -174.49 142.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -45.24 124.32 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 p -160.86 171.25 19.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.97 173.6 16.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 60.29 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.5 p 175.99 107.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.59 153.24 6.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m -120.9 -57.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.6 p -84.39 141.53 30.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 11' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -54.47 39.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.01 -20.21 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 8' ' ' LEU . 97.0 mt -81.81 -43.68 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.629 HG21 ' CE2' ' A' ' 71' ' ' PHE . 75.4 t -62.92 -49.05 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -48.58 -41.44 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -52.22 57.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.619 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -56.95 -34.7 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -60.19 -19.96 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -90.21 159.89 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -109.54 -24.5 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -72.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.3 p -90.44 -13.18 35.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.54 -166.85 30.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -74.32 179.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -151.24 91.46 3.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.439 1.757 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.534 ' HB ' HD22 ' A' ' 99' ' ' LEU . 9.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 46.5 p90 -123.14 139.6 53.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 96' ' ' SER . 25.0 mt -60.98 145.56 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.76 -44.54 48.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -63.78 -35.97 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -40.6 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 4.7 tp -72.0 -55.39 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' A' ' 59' ' ' ALA . 72.6 t -47.49 -60.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.76 -43.27 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.8 t90 -57.09 -66.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.6 mt -38.01 -47.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 56' ' ' ARG . 50.3 mt -65.38 -56.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 t -53.6 -27.94 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -78.07 -14.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.027 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.4 t-20 82.91 20.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 19.9 m-85 -91.6 -18.33 24.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.85 157.54 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -97.71 -35.6 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.6 t -141.3 160.88 39.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.832 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.9 -36.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.46 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.806 ' O ' HD12 ' A' ' 62' ' ' LEU . 30.8 mt-10 -42.15 -33.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.44 -44.54 24.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' ARG . 42.5 t -53.15 -45.0 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -43.09 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.43 -36.59 76.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.26 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -57.79 -26.16 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -40.27 74.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 12.5 mt -64.72 -46.07 83.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.856 ' HG3' HD12 ' A' ' 72' ' ' LEU . 10.8 mtm -54.51 -39.61 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.44 -12.29 9.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.573 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.4 t-20 85.9 32.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CE2' HG21 ' A' ' 12' ' ' VAL . 18.7 m-85 -99.64 -31.41 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.93 171.5 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.81 153.3 28.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 23.6 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.51 0.195 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.12 164.85 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -123.12 73.94 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.42 -169.53 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.731 ' O ' HD22 ' A' ' 39' ' ' LEU . 18.0 m -89.7 -43.63 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 p -53.17 -59.8 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.03 133.16 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.534 HD22 ' HB ' ' A' ' 37' ' ' THR . 1.5 mt -126.33 166.49 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 76.2 m-85 -161.6 147.88 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.568 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.7 t -132.15 163.84 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' PHE . 11.6 m-85 -75.18 136.34 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 11' ' ' ILE . 80.1 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.61 -48.51 79.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.8 -25.94 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 HD23 ' A' ' 8' ' ' LEU . 55.5 mt -76.54 -46.21 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 71' ' ' PHE . 95.3 t -58.04 -49.98 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.18 -46.15 54.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.33 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.605 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.4 mmm -55.54 -38.16 68.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -58.1 -24.36 58.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.53 164.36 23.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -115.65 -35.51 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -62.94 -58.9 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.5 p -104.15 -19.62 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.93 -170.37 17.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.03 177.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -151.85 92.79 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.551 HG22 ' HB ' ' A' ' 101' ' ' THR . 19.4 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 34.2 p90 -126.72 134.55 50.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 96' ' ' SER . 28.6 mt -51.76 149.44 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.42 91.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.6 t -65.16 -38.05 89.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.9 -44.72 70.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.9 tp -66.26 -58.41 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.791 HG13 ' HB3' ' A' ' 59' ' ' ALA . 74.1 t -43.87 -65.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -48.18 -48.84 34.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.3 t90 -52.31 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD22 HD22 ' A' ' 62' ' ' LEU . 21.0 mt -39.12 -46.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.4 mt -62.17 -51.78 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' TRP . 13.7 t -60.76 -26.99 67.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 2.3 m -76.27 -0.83 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.944 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.63 20.11 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 11' ' ' ILE . 15.7 m-30 -92.5 -20.15 21.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.68 159.15 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.712 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.13 -34.15 9.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.37 161.77 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.835 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.22 -36.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.17 -67.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.788 ' O ' HD12 ' A' ' 62' ' ' LEU . 32.6 mt-10 -43.5 -33.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.791 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.64 -41.62 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 56' ' ' ARG . 34.1 t -55.82 -43.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -40.09 68.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.38 -36.51 80.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.65 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.75 -58.27 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -53.64 -29.91 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.402 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.18 -46.61 73.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.892 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 mt -59.5 -44.48 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.973 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.3 mtm -57.51 -41.57 81.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.51 93.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -63.65 -9.67 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-20 85.27 25.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.3 m-85 -95.48 -12.22 26.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.973 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -162.66 170.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.645 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 148.28 23.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE2' ' CZ ' ' A' ' 100' ' ' TYR . 25.9 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.1 mt -107.15 171.35 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -136.19 71.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.86 162.15 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' HD22 ' A' ' 39' ' ' LEU . 64.3 p -55.36 -56.78 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.4 p -37.21 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.46 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 3.6 mt -133.75 169.61 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CZ ' ' CE2' ' A' ' 92' ' ' PHE . 70.9 m-85 -166.06 142.38 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.645 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.1 t -126.66 178.63 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.5 m-85 -87.97 135.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 11' ' ' ILE . 22.3 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -56.13 18.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.57 -20.72 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 8' ' ' LEU . 52.3 mt -80.59 -44.32 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG21 ' CG ' ' A' ' 71' ' ' PHE . 66.2 t -63.2 -48.64 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -48.37 -51.12 27.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -56.44 -51.0 70.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.0 mtp -59.67 -23.53 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.11 -12.48 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -112.7 -5.37 13.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -88.38 0.7 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.07 -172.57 38.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.14 179.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -147.33 90.42 5.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.596 HG22 ' HB ' ' A' ' 101' ' ' THR . 12.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.424 ' C ' HD23 ' A' ' 99' ' ' LEU . 43.2 p90 -126.08 133.17 51.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 96' ' ' SER . 32.7 mt -45.85 159.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -72.81 -30.07 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -74.86 -37.2 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -47.73 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 4.9 tp -59.77 -57.29 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.964 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 46.1 t -45.14 -71.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.8 -48.19 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.5 t90 -52.92 -66.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 62' ' ' LEU . 14.4 mt -38.14 -53.0 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 56' ' ' ARG . 55.7 mt -57.75 -55.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -53.81 -34.71 60.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -75.6 -4.41 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.6 t30 73.01 20.55 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.5 m-30 -91.31 -17.47 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.51 153.2 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.17 -44.07 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 p -139.13 163.84 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.66 -31.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.13 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -43.93 -41.16 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.964 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -64.59 -42.33 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' ARG . 18.9 t -59.15 -42.33 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -44.83 64.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.49 -30.46 65.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.17 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -52.12 -28.18 16.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.32 -42.98 78.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.806 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -64.24 -48.49 75.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.917 ' CG ' HD12 ' A' ' 72' ' ' LEU . 13.3 mtm -53.4 -42.48 67.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -47.46 80.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 9.1 mm-40 -59.54 -12.8 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 86.16 33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.3 m-85 -101.03 -22.65 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.917 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -150.66 173.27 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -149.97 149.68 28.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.67 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 24.2 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.521 0.2 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.0 163.49 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.2 t70 -130.44 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.97 179.16 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.9 m -70.14 -46.71 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.3 p -49.97 -69.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -39.8 133.8 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.543 HD22 ' HB ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -130.79 160.1 35.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 92' ' ' PHE . 98.3 m-85 -154.31 137.08 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 37' ' ' THR . 12.4 t -117.56 165.27 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -77.57 135.49 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.623 ' HA ' HD12 ' A' ' 11' ' ' ILE . 97.9 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -61.05 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.52 -21.31 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.624 HG23 ' CD2' ' A' ' 52' ' ' PHE . 76.1 mt -78.51 -43.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 71' ' ' PHE . 35.1 t -65.06 -49.76 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -42.43 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.604 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.4 mmm -54.76 -30.91 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -64.63 -25.8 68.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.03 156.89 33.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -109.01 -11.67 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -97.57 -63.86 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 p -91.49 -5.6 53.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.66 -168.32 39.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.07 179.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -151.96 92.65 3.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.819 ' HB ' HD12 ' A' ' 99' ' ' LEU . 10.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 38.8 p90 -127.85 128.32 45.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 96' ' ' SER . 10.5 mt -40.36 150.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.99 -33.2 83.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -71.73 -34.47 69.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -56.58 -50.52 71.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.4 tp -57.83 -47.78 81.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -53.5 -68.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.41 -34.8 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.8 t90 -64.67 -64.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -39.76 -50.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.7 mt -58.99 -57.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -54.12 -28.75 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.68 5.04 19.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.78 21.94 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.624 ' CD2' HG23 ' A' ' 11' ' ' ILE . 14.8 m-30 -93.23 -15.29 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.86 158.29 44.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.75 -36.73 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 158.94 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.774 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -38.53 -37.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.03 -67.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -42.38 -42.74 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.854 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -63.94 -42.49 97.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.5 t -60.1 -40.58 83.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -40.81 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.586 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -61.41 -28.56 69.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -67.98 -60.46 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -52.26 -33.66 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -37.16 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.6 mt -72.27 -44.83 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.912 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.7 mtm -58.39 -36.44 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -45.85 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.81 -11.51 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.845 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 2.1 t-20 86.23 24.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -89.61 -29.32 18.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.912 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.18 173.2 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.555 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.29 155.47 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 34.6 t80 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.515 0.197 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mt -132.18 171.16 14.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -133.74 68.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -169.99 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.415 ' CB ' HD13 ' A' ' 39' ' ' LEU . 23.9 m -102.35 15.97 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -118.68 -36.17 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.51 84.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.0 mm? -72.36 168.94 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 69.7 m-85 -164.79 137.68 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.555 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.8 t -126.95 163.37 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.98 132.96 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.429 ' HB3' HD23 ' A' ' 66' ' ' LEU . 77.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -50.24 -26.67 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 1.1 tpp180 -84.71 -38.99 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 HD23 ' A' ' 62' ' ' LEU . 3.1 mt -64.11 -51.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.603 HG21 ' CG ' ' A' ' 71' ' ' PHE . 53.1 t -55.1 -49.72 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -40.4 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -84.81 -53.09 5.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 mtm -58.43 -21.52 51.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' ND1' HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -71.38 -17.52 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -90.96 159.77 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 t -118.87 -0.25 11.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.4 m -102.45 -46.58 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 p -117.56 4.43 12.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.62 -161.27 26.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tt -72.49 178.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -145.09 90.37 6.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.869 HG22 ' HB ' ' A' ' 101' ' ' THR . 10.8 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 30.1 p90 -124.58 148.09 48.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.8 HD22 ' O ' ' A' ' 96' ' ' SER . 36.3 mt -64.33 152.0 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.56 -29.76 74.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -76.22 -32.28 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -57.89 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 43' ' ' LEU . 6.7 tp -51.75 -49.12 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.958 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 11.8 t -54.43 -77.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 44' ' ' VAL . 12.0 t0 -40.38 -39.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 15' ' ' MET . 82.1 t90 -61.18 -67.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.038 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD23 ' HD2' ' A' ' 52' ' ' PHE . 22.4 mt -39.18 -47.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.9 mt -61.36 -61.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 t -52.74 -31.71 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.9 t -73.88 -14.87 61.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' SER . 51.2 t30 83.64 18.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.0 m-30 -93.35 -14.88 26.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.35 152.86 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.92 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 172.61 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.749 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.7 mmt180 -48.32 -34.0 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.47 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.3 -42.34 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.958 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.87 -42.27 97.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 56' ' ' ARG . 39.5 t -59.96 -41.45 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -42.28 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.586 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.26 -28.79 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.94 -57.19 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -53.66 -23.85 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -47.45 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.861 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.9 mt -58.94 -42.75 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.869 ' HG3' HD12 ' A' ' 72' ' ' LEU . 12.9 mtm -58.22 -37.41 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -45.96 81.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.3 mm-40 -62.08 -11.67 15.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-20 85.96 29.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.8 m-85 -95.74 -26.87 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.869 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.92 167.39 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.593 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 150.45 28.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.705 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 30.9 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 11.2 mt -111.29 166.95 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.638 ' OD1' HG11 ' A' ' 44' ' ' VAL . 7.3 t70 -128.97 69.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.0 177.71 8.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.8 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.36 -24.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ALA . 46.2 p -69.84 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 93' ' ' LEU . . . -40.28 133.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 5.7 mt -129.78 168.09 17.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.705 ' CE2' ' CE2' ' A' ' 92' ' ' PHE . 99.3 m-85 -163.48 168.21 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.869 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.2 t -152.3 164.13 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -80.44 134.87 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 11' ' ' ILE . 79.4 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -57.21 -45.24 84.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.78 -21.18 66.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 52' ' ' PHE . 89.9 mt -82.12 -41.63 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG12 ' CD2' ' A' ' 16' ' ' HIS . 96.1 t -60.67 -43.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.33 -52.56 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 tttt -55.7 -50.8 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.9 mmm -54.66 -41.71 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.687 ' CD2' HG12 ' A' ' 12' ' ' VAL . 42.2 m-70 -53.97 -33.21 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.04 165.22 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -115.17 -31.85 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -73.48 -58.28 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 p -98.14 -14.26 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -79.3 -171.52 41.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.78 -178.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -153.05 92.31 3.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 101' ' ' THR . 24.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 39.8 p90 -123.6 141.09 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' O ' ' A' ' 96' ' ' SER . 24.3 mt -62.64 148.09 47.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.68 -36.57 65.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -67.86 -36.77 80.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -48.83 80.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -60.58 -53.85 52.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 59' ' ' ALA . 30.2 t -47.11 -70.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.97 -46.47 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 90.3 t90 -54.09 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -43.42 -53.92 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.736 HD11 ' HA ' ' A' ' 56' ' ' ARG . 65.0 mt -56.1 -59.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -53.92 -27.28 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -82.95 7.84 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.13 18.26 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' HD2' HD23 ' A' ' 47' ' ' LEU . 17.2 m-30 -90.53 -16.99 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.79 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.04 -37.46 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.63 161.11 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 48' ' ' ILE . 2.2 mpt_? -39.52 -38.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -57.98 -66.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -40.79 -45.28 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.78 -44.53 96.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 94' ' ' ASP . 30.9 t -58.39 -40.19 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -41.11 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -64.14 -34.5 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.15 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.82 -46.42 41.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -50.81 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.845 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.8 mt -55.07 -48.41 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.886 ' HG3' HD12 ' A' ' 72' ' ' LEU . 14.2 mtm -53.82 -37.78 63.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -42.49 92.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.621 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mt-10 -68.28 -5.7 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.0 OUTLIER 81.16 20.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -86.61 -16.59 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -159.15 173.15 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.591 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.09 156.41 32.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.7 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.496 0.188 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -93.25 176.82 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.507 ' HB2' HG22 ' A' ' 60' ' ' VAL . 7.1 t70 -134.98 71.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.74 169.12 18.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.595 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.0 p -63.09 -56.59 15.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.6 p -43.59 -68.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -39.89 109.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.484 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.1 mt -101.53 165.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 95.6 m-85 -161.07 137.82 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.5 t -122.97 176.29 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.441 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 20.8 m-85 -82.6 133.95 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 12' ' ' VAL . 71.7 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.08 -55.93 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.99 -22.51 64.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 94.6 mt -79.27 -42.04 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 8' ' ' LEU . 65.1 t -62.32 -42.42 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -55.37 -52.99 61.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -55.22 26.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.1 mtp -49.36 -49.02 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -45.34 -35.47 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD2' ' N ' ' A' ' 19' ' ' SER . 10.5 t70 -69.8 163.87 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.88 -28.07 7.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -68.75 -63.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -101.13 -16.64 16.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.1 -159.75 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.31 155.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -126.0 88.95 53.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.814 ' HB ' HD11 ' A' ' 99' ' ' LEU . 2.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 99' ' ' LEU . 18.1 p90 -130.97 124.36 30.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.609 HD23 HD13 ' A' ' 99' ' ' LEU . 18.4 mt -43.51 157.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -27.36 69.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -74.1 -40.21 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -46.46 75.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' A' ' 47' ' ' LEU . 4.8 tp -61.99 -59.07 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.946 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 28.0 t -44.08 -72.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -41.91 -54.44 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.594 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 85.4 t90 -46.81 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' TRP . 24.9 mt -35.62 -56.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.4 mt -55.18 -53.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -55.95 -33.99 65.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.055 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 2.5 m -78.28 -7.33 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' SER . 41.2 t30 77.1 20.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 13.2 m-85 -88.8 -19.28 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.91 152.72 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.92 -42.07 12.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -138.49 165.62 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.0 mpt_? -43.93 -34.93 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.32 -64.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -43.45 -42.48 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.946 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.67 -42.83 98.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 56' ' ' ARG . 32.0 t -59.19 -38.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -41.0 62.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -29.03 70.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.08 -58.9 3.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 p -51.57 -31.11 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.404 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -66.37 -42.44 87.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.9 mt -66.64 -47.82 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.837 ' HG3' HD12 ' A' ' 72' ' ' LEU . 23.6 mtm -54.81 -40.24 69.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.62 82.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mm-40 -62.55 -10.51 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-20 83.86 36.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.0 m-85 -103.54 -23.1 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.837 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.67 173.58 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.11 155.74 34.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 29.9 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.521 0.201 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.26 159.24 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 94' ' ' ASP . 3.6 t0 -116.92 75.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.25 177.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.433 ' O ' HD22 ' A' ' 39' ' ' LEU . 6.3 p -74.96 -51.38 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.3 p -48.54 -59.68 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 113.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.814 HD11 ' HB ' ' A' ' 37' ' ' THR . 42.6 tp -115.14 155.0 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.3 m-85 -143.08 141.79 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.744 ' HB ' HG22 ' A' ' 37' ' ' THR . 10.2 t -122.33 176.3 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.06 132.15 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 HD12 ' A' ' 11' ' ' ILE . 88.7 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.33 74.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.91 -22.58 59.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.544 HD12 HD23 ' A' ' 8' ' ' LEU . 79.6 mt -79.7 -44.87 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG12 ' CD2' ' A' ' 16' ' ' HIS . 74.1 t -59.26 -49.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.55 -45.34 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.626 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.6 mmm -58.88 -26.91 64.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.819 ' CD2' HG12 ' A' ' 12' ' ' VAL . 43.4 m-70 -70.43 -7.91 46.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.31 160.6 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -111.88 -26.92 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -63.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -103.22 -13.73 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.73 -179.55 52.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -152.55 92.16 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.417 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 101' ' ' THR . 16.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -126.86 130.94 51.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 96' ' ' SER . 36.6 mt -43.16 157.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.38 -37.15 90.17 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -71.47 -37.2 71.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -46.88 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 38' ' ' PHE . 2.8 tp -61.93 -59.91 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 59' ' ' ALA . 85.7 t -43.04 -66.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -47.64 -46.77 29.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.2 t90 -55.43 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.697 HD22 HD22 ' A' ' 62' ' ' LEU . 15.7 mt -38.01 -38.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 70.5 mt -70.15 -54.43 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' TRP . 22.7 t -58.74 -30.03 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 3.1 m -70.23 -14.56 62.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' SER . 29.8 t30 81.81 18.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 22.8 m-30 -91.68 -22.71 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.69 160.58 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -103.92 -34.39 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.2 t -140.06 158.92 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -38.62 -34.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.534 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.06 -68.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.734 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.63 -31.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -80.69 -44.0 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.3 t -54.08 -43.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -40.0 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.56 -35.47 76.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.39 -58.65 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -51.92 -29.84 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -50.13 55.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -57.95 -45.66 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.931 ' CG ' HD12 ' A' ' 72' ' ' LEU . 17.3 mtm -56.11 -42.61 77.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -41.93 96.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.2 mm-40 -64.96 -8.08 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.94 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.1 t-20 83.54 20.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 21.5 m-85 -89.39 -14.2 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.931 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -161.52 173.21 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.91 149.58 23.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.833 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 27.5 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.502 0.191 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -95.9 176.97 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.18 71.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.92 166.02 25.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HD22 ' A' ' 39' ' ' LEU . 15.4 m -66.08 -49.82 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 98' ' ' ALA . 1.9 p -46.64 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -40.33 134.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -127.68 164.74 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.6 m-85 -151.13 139.06 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.644 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.7 t -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.45 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 17.6 m-85 -86.07 134.82 33.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD22 HD23 ' A' ' 66' ' ' LEU . 8.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -51.0 60.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -63.64 -22.05 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 8' ' ' LEU . 53.4 mt -79.73 -43.73 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 71' ' ' PHE . 73.3 t -61.56 -46.38 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -52.52 -48.75 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -48.87 78.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.5 mtp -62.59 -30.98 71.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -61.08 -19.45 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -90.86 155.57 18.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -109.0 -15.8 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -72.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -93.0 -11.4 33.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.46 -154.03 8.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.44 1.087 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.83 -179.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -150.44 92.27 4.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.964 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.595 ' HB ' HD12 ' A' ' 99' ' ' LEU . 3.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 46.5 p90 -106.25 129.56 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 99' ' ' LEU . 15.1 mt -49.29 144.85 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -57.44 -38.58 87.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -43.61 77.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.0 -56.73 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' A' ' 59' ' ' ALA . 87.4 t -47.6 -61.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.5 -43.11 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 91.6 t90 -59.67 -67.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 62' ' ' LEU . 18.5 mt -37.35 -47.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.0 mt -62.15 -58.51 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -53.62 -30.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.2 m -73.66 -13.16 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.7 t30 81.5 20.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -90.52 -23.6 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.66 158.52 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.796 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -99.31 -34.77 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' ARG . 3.2 t -141.81 159.35 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.46 -33.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -62.54 -69.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.85 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.1 mt-10 -41.38 -33.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.07 -45.35 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 56' ' ' ARG . 29.9 t -52.5 -45.58 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.74 69.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.09 -41.23 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.606 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -63.57 -58.24 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 p -52.63 -36.32 56.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 2.0 mtm -60.13 -52.92 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.826 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.6 mt -49.98 -46.55 52.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 72' ' ' LEU . 15.6 mtm -55.44 -41.23 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.68 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 71' ' ' PHE . 14.8 mp0 -58.53 -14.89 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t30 88.37 39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' A' ' 69' ' ' GLU . 21.5 m-85 -100.39 -21.26 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.22 174.24 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.569 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.86 156.88 33.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.511 1.796 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 46.9 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.466 0.174 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 2.8 mt -116.86 166.69 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 7.4 t70 -130.54 71.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.05 -172.7 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.405 ' HB2' HD13 ' A' ' 39' ' ' LEU . 79.5 p -97.76 16.91 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 p -119.42 -39.33 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -68.04 84.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 39' ' ' LEU . 3.9 mm? -74.26 171.63 13.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 60.3 m-85 -165.67 140.44 4.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.569 HG23 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -126.56 165.94 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -79.42 135.08 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.05 -37.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.402 ' CD ' ' C ' ' A' ' 10' ' ' ARG . 2.0 tpp180 -71.38 -46.23 60.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 52' ' ' PHE . 6.2 mt -59.33 -50.26 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 71' ' ' PHE . 65.0 t -50.61 -51.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.8 -36.65 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -51.09 20.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.608 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 2.6 mmm -60.04 -28.67 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -66.04 -18.63 65.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 18' ' ' THR . 8.5 t0 -92.1 160.7 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 13.7 t -110.86 -18.65 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -76.57 -69.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -97.52 -3.31 40.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.68 -167.64 43.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.44 179.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -149.06 91.14 4.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 101' ' ' THR . 21.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 45.9 p90 -132.5 133.49 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 99' ' ' LEU . 23.9 mt -50.36 150.91 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.18 -41.31 96.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -65.9 -38.63 89.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -51.66 -47.31 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.2 tp -62.1 -58.25 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.97 HG13 ' HB3' ' A' ' 59' ' ' ALA . 88.4 t -46.18 -61.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.45 -49.35 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.608 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.5 t90 -54.78 -65.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 107.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' TRP . 12.1 mt -38.6 -48.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 56' ' ' ARG . 58.2 mt -62.99 -57.26 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.8 t -53.62 -28.88 35.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 68.6 m -76.47 -12.8 60.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.4 t30 81.07 19.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.0 m-85 -89.56 -21.86 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.32 160.62 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.963 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.37 -35.07 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.58 156.36 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.946 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.26 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -65.0 -67.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.963 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 24.1 mt-10 -42.37 -39.91 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.97 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.7 -45.85 67.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.7 t -53.07 -46.02 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -42.61 88.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -61.71 -37.77 85.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.934 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -60.92 -60.85 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -49.4 -41.18 38.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -48.36 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.838 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 mt -60.01 -45.97 91.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 72' ' ' LEU . 18.2 mtm -57.09 -40.89 77.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -44.68 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.4 mm-40 -61.78 -11.38 12.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.887 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 8.1 t-20 86.75 23.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -91.32 -20.06 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -155.05 174.05 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.12 152.36 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.934 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 31.7 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.26 167.07 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.9 66.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.26 165.55 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 39' ' ' LEU . 75.5 m -61.17 -58.36 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 97' ' ' THR . 80.6 p -38.74 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.37 129.57 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -120.2 172.31 7.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 94.7 m-85 -163.39 139.85 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.621 HG22 ' HG2' ' A' ' 73' ' ' ARG . 13.6 t -122.57 174.25 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.3 m-85 -84.4 134.91 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 12' ' ' VAL . 75.6 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -68.15 -55.98 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.633 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -64.19 -21.19 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CD2' ' A' ' 62' ' ' LEU . 96.8 mt -79.27 -40.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 71' ' ' PHE . 43.4 t -64.71 -36.82 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.44 -47.36 82.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.2 mtp -62.23 -32.97 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -60.19 -21.59 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -87.55 168.72 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -119.93 -37.92 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 m -59.34 -52.92 63.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.7 p -110.51 -19.74 12.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.57 -155.81 1.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -86.93 176.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -149.06 91.84 4.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 101' ' ' THR . 28.1 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.663 ' HE2' HD22 ' A' ' 43' ' ' LEU . 6.8 p90 -133.98 133.68 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 96' ' ' SER . 26.5 mt -52.54 151.32 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.35 82.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -70.74 -36.27 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -37.72 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 38' ' ' PHE . 9.1 tp -72.69 -54.61 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.875 HG13 ' HB3' ' A' ' 59' ' ' ALA . 44.9 t -48.11 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.16 -44.1 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.596 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.3 t90 -57.89 -67.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 62' ' ' LEU . 18.7 mt -37.76 -47.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.5 mt -59.86 -53.16 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' TRP . 16.8 t -60.71 -30.86 70.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -69.79 -15.04 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.0 t30 81.86 18.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.688 ' HD2' HD23 ' A' ' 47' ' ' LEU . 22.8 m-30 -91.44 -23.09 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.64 160.0 35.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.75 -34.02 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' ARG . 4.3 t -141.6 158.77 43.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.974 ' O ' HG23 ' A' ' 60' ' ' VAL . 6.1 mpt_? -38.58 -34.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.529 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.14 -67.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.7 mt-10 -43.18 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.875 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -77.95 -45.43 23.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 56' ' ' ARG . 53.5 t -52.48 -44.21 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -41.38 72.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -56.85 -38.38 72.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -62.77 -59.8 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 p -53.74 -33.39 55.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.58 -44.37 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.8 mt -62.37 -43.41 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.735 ' HG3' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -57.95 -38.55 76.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.85 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 2.8 mm-40 -63.84 -10.99 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.608 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 2.3 t30 83.78 36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 12' ' ' VAL . 22.8 m-85 -97.71 -26.29 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.47 174.62 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.9 157.28 32.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.456 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 37.5 t80 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.476 0.179 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 8.1 mt -129.85 176.34 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -139.46 68.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.72 -165.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.706 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.1 m -99.93 -20.46 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -79.41 -36.92 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 120.72 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.513 ' CD2' HD23 ' A' ' 39' ' ' LEU . 11.9 mt -109.25 158.32 17.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 92' ' ' PHE . 91.4 m-85 -156.62 137.64 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.613 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -124.24 174.24 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 38.2 m-85 -83.48 133.9 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 69' ' ' GLU . 50.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -47.05 -29.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -82.28 -44.3 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' SD ' ' A' ' 15' ' ' MET . 22.6 mt -64.06 -56.89 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG22 HD22 ' A' ' 66' ' ' LEU . 82.3 t -43.74 -56.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.0 -47.19 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -63.01 -55.22 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 11' ' ' ILE . 29.3 mtp -54.01 -25.34 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -70.01 -17.19 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.95 160.98 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -112.11 -9.15 13.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.438 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -84.43 -81.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.1 p -87.99 -12.29 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.03 -150.51 6.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -87.52 157.28 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -128.62 89.18 50.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.652 HG22 ' HB ' ' A' ' 101' ' ' THR . 25.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 37.0 p90 -133.75 135.71 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 96' ' ' SER . 30.0 mt -53.8 158.17 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.665 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -69.87 -32.16 70.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -35.02 67.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -51.75 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.06 -62.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.886 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -37.21 -60.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 48' ' ' ILE . 19.9 t0 -53.18 -49.66 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 74.7 t90 -50.97 -60.51 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 11' ' ' ILE . 6.6 mt -39.28 -42.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.834 HD11 ' HA ' ' A' ' 56' ' ' ARG . 21.4 mt -67.23 -61.27 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -53.27 -25.82 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.589 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.5 t -75.05 -13.94 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.3 t-20 82.17 18.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -97.27 -13.57 21.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 154.04 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.03 -29.85 16.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 167.96 28.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -43.69 -31.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.322 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.84 -68.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -39.63 -44.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.85 -47.09 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' ARG . 20.7 t -54.15 -37.23 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -41.42 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.34 -36.24 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -66.55 -57.95 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -53.94 -32.32 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -39.17 93.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 mt -67.11 -44.37 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.956 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.6 mtm -57.52 -37.73 73.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -46.48 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mm-40 -61.42 -12.08 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.766 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 44.4 t30 86.86 28.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -94.83 -21.2 18.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.956 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.46 171.02 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.606 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.18 153.28 29.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 27.2 t80 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.503 0.192 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -136.38 168.31 19.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -137.93 76.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.82 -170.92 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.958 ' O ' HD22 ' A' ' 39' ' ' LEU . 4.0 m -92.4 -36.81 12.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -65.47 -27.82 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.8 117.3 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 1.4 mt -106.65 173.75 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 70.0 m-85 -165.09 141.73 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.652 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.7 t -129.47 163.16 26.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.35 131.23 36.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.962 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.8 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -74.4 -45.09 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.636 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.13 -24.89 65.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 110.275 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 15' ' ' MET . 85.7 mt -79.18 -46.8 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 8' ' ' LEU . 90.1 t -60.31 -49.83 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.35 -44.69 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.668 ' HE1' HD13 ' A' ' 66' ' ' LEU . 33.8 mtp -61.36 -19.31 61.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.87 -10.94 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -101.03 164.21 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -113.09 -30.99 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -68.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -101.14 -21.22 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.94 -152.69 1.46 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tp -84.49 162.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -132.4 88.39 39.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 ' HB ' ' A' ' 101' ' ' THR . 1.8 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 41.7 p90 -115.85 135.22 54.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 96' ' ' SER . 22.1 mt -55.01 145.47 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.74 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -58.15 -33.98 71.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -28.14 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -52.73 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.816 HD22 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -64.74 -58.96 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.846 HG13 ' HB3' ' A' ' 59' ' ' ALA . 54.8 t -39.17 -55.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.681 ' HA ' HD12 ' A' ' 48' ' ' ILE . 16.9 t0 -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 76.0 t90 -52.54 -59.27 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' A' ' 43' ' ' LEU . 7.2 mt -40.42 -44.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 56' ' ' ARG . 36.2 mt -62.8 -61.16 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -53.32 -27.25 22.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.7 m -74.7 -14.37 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' SER . 3.8 t-20 81.26 19.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 21.7 m-85 -96.93 -13.76 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.88 156.39 48.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.6 -42.95 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.2 p -142.11 162.99 34.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -38.72 -35.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.37 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -42.45 -45.45 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.51 -45.18 95.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 31.0 t -56.63 -37.98 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -40.04 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.547 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.79 -35.87 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.23 -58.83 5.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -52.03 -35.3 46.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -38.98 93.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.2 mt -68.32 -46.57 69.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 72' ' ' LEU . 4.5 mtm -54.03 -36.14 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -47.55 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.2 mm-40 -61.56 -12.21 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 84.9 38.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.693 ' CG ' HG21 ' A' ' 12' ' ' VAL . 19.6 m-85 -104.33 -26.45 12.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.25 169.45 18.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -137.95 155.34 74.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.548 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.6 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.492 0.187 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -93.94 161.4 14.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 2.1 t70 -123.2 77.78 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.85 -174.76 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.839 ' O ' HD22 ' A' ' 39' ' ' LEU . 14.9 m -83.61 -36.75 23.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.933 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 17.3 p -62.72 -68.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.08 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.653 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.8 mt -99.4 139.03 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 92' ' ' PHE . 69.8 m-85 -128.85 141.95 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.729 ' HB ' HG22 ' A' ' 37' ' ' THR . 13.6 t -124.71 173.6 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 10.5 m-85 -88.9 128.62 35.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 12' ' ' VAL . 90.3 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -31.01 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.99 -40.61 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.901 HG22 ' SD ' ' A' ' 15' ' ' MET . 8.0 mt -65.07 -55.88 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 8' ' ' LEU . 61.3 t -41.82 -55.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -45.84 -53.03 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -50.87 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.901 ' SD ' HG22 ' A' ' 11' ' ' ILE . 21.5 mtp -57.92 -38.16 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.404 ' ND1' HG12 ' A' ' 12' ' ' VAL . 3.9 m80 -55.12 -20.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.04 161.32 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -111.36 -24.41 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 -66.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 p -92.07 -5.85 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.37 -164.27 38.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.043 HG23 ' HD3' ' A' ' 24' ' ' PRO . 1.9 tt -73.95 177.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 71.23 71.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.043 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 100' ' ' TYR . 54.6 p90 -114.35 132.68 56.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 96' ' ' SER . 20.6 mt -53.79 158.1 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.9 -32.44 77.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -34.34 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -47.84 83.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 8.3 tp -60.19 -50.59 73.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 38.1 t -51.05 -73.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.21 -42.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.7 t90 -61.53 -67.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.3 mt -37.79 -47.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.8 mt -63.54 -57.31 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -54.2 -28.63 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 67.4 m -79.29 -13.27 59.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 24.3 t-20 81.13 21.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -91.24 -21.43 21.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.81 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.89 -37.29 9.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.9 159.05 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.85 -34.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.69 -67.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -41.34 -44.28 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.834 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -62.62 -44.2 96.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 56' ' ' ARG . 37.8 t -57.94 -40.45 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.56 -41.89 65.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.65 -29.61 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.89 -59.04 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 p -54.11 -34.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.7 -36.97 82.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.0 mt -69.58 -49.21 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.967 ' HG3' HD12 ' A' ' 72' ' ' LEU . 17.4 mtm -54.31 -40.37 67.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -48.47 73.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.6 mm-40 -60.62 -12.61 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 85.83 41.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -108.56 -23.79 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.967 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.4 172.87 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.56 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.85 155.05 32.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.444 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 43.8 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.501 0.191 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.48 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 9.4 mt -126.32 164.03 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -129.07 65.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.04 -175.24 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.779 ' O ' HD22 ' A' ' 39' ' ' LEU . 72.4 m -72.79 -35.42 67.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 76.0 p -84.73 73.81 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -175.98 75.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 39' ' ' LEU . 2.0 mm? -68.82 166.17 18.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 44.2 m-85 -168.42 138.44 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.56 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.9 t -129.31 163.68 25.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -77.91 129.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 12' ' ' VAL . 82.4 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -72.62 -52.18 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.638 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.48 -29.4 70.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.553 HG22 ' SD ' ' A' ' 15' ' ' MET . 94.4 mt -73.61 -50.47 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 8' ' ' LEU . 85.5 t -56.74 -46.5 83.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.58 -47.88 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -60.33 -42.73 96.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 34.3 mtp -67.78 -26.55 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.58 -12.68 55.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.98 167.09 11.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -113.95 -30.03 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -66.37 -69.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -100.61 4.63 43.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.39 170.73 19.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 43' ' ' LEU . 3.1 tp -40.23 156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -130.25 88.77 46.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.884 ' HB ' HD22 ' A' ' 99' ' ' LEU . 2.3 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 26.2 p90 -121.84 130.09 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 96' ' ' SER . 21.0 mt -44.35 157.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.04 63.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -36.07 76.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.16 94.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.45 -70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 59' ' ' ALA . 2.6 t -31.9 -66.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 t0 -41.94 -56.74 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 86.9 t90 -46.85 -62.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.02 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 43' ' ' LEU . 7.7 mt -39.75 -42.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 56' ' ' ARG . 30.7 mt -68.1 -58.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -52.56 -30.47 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 24.4 m -72.9 -13.26 61.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' SER . 49.6 t30 80.06 20.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 20.7 m-85 -94.63 -15.98 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.22 49.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.84 -31.7 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.9 165.61 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.7 mpt_? -41.67 -33.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.21 -69.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 61' ' ' THR . 7.5 mm-40 -39.12 -45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.33 -48.61 80.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.7 t -51.66 -38.35 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -77.27 -40.91 42.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.56 -32.23 73.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -69.1 -58.69 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 p -54.93 -31.34 60.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.16 86.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.7 mt -68.68 -50.21 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.797 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.0 mtm -50.08 -35.94 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -45.44 65.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.3 mm-40 -61.26 -11.99 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 21.7 t30 86.93 31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.857 ' CG ' HG21 ' A' ' 12' ' ' VAL . 18.6 m-85 -98.24 -31.78 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.52 170.98 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.664 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.71 149.88 23.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 50.4 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.533 0.206 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -112.86 163.29 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.7 69.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.43 176.19 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.715 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.9 m -69.39 -46.45 66.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 98' ' ' ALA . 33.5 p -53.21 -71.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -38.83 126.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -121.62 167.15 13.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.442 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 72.8 m-85 -159.92 143.8 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.664 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.1 t -124.6 -172.38 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -103.35 132.4 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 11' ' ' ILE . 85.6 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -44.08 69.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.1 -23.76 66.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 8' ' ' LEU . 70.1 mt -77.82 -43.04 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 71' ' ' PHE . 77.6 t -64.03 -43.12 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -55.75 -44.32 77.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -61.65 -43.16 99.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.598 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -66.73 -30.52 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -61.23 -19.13 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.654 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -89.7 165.75 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -112.65 -40.77 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 m -60.09 -67.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.6 p -90.71 -24.36 20.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -67.91 -163.53 2.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.82 178.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -153.34 92.54 3.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.018 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.721 ' HB ' HD12 ' A' ' 99' ' ' LEU . 15.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -127.55 128.24 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PHE . 20.6 mt -39.92 144.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.39 -36.42 91.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -67.98 -42.03 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -50.36 -44.03 54.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.3 tp -64.55 -54.69 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' A' ' 59' ' ' ALA . 63.2 t -47.5 -67.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.0 t0 -47.43 -46.55 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.1 t90 -53.43 -64.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.737 HD13 ' CB ' ' A' ' 62' ' ' LEU . 32.4 mt -41.64 -52.24 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 87.8 mt -47.7 -66.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -56.7 -28.77 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -62.84 -13.77 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.1 t30 80.74 10.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 5.2 m-30 -92.1 -16.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.2 159.1 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' OE1' ' A' ' 58' ' ' GLU . . . -104.61 -31.77 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 162.67 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.9 mtp180 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -56.2 -70.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.858 ' OE1' ' HB3' ' A' ' 54' ' ' ALA . 15.1 mt-10 -43.39 -38.08 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.53 -49.88 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 56' ' ' ARG . 4.3 t -42.11 -48.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -65.72 -48.69 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.737 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.1 mm? -45.47 -33.36 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.692 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -72.04 -57.61 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -55.08 -28.99 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.34 -42.95 78.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.914 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.0 mt -68.38 -44.03 76.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.855 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.3 mtm -58.8 -38.15 77.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.32 74.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 73.1 mm-40 -63.46 -10.09 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.2 t30 84.3 34.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.713 ' O ' HD23 ' A' ' 72' ' ' LEU . 20.4 m-85 -103.34 -6.13 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -168.73 165.03 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG3' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -147.2 153.81 45.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.692 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 39.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.501 0.191 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 5.6 mt -117.74 -177.17 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.67 71.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.58 -179.31 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.8 p -93.39 21.25 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.513 ' O ' HD23 ' A' ' 99' ' ' LEU . 23.7 p -125.46 -44.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 100' ' ' TYR . . . -59.9 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.721 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.2 mm? -72.86 166.63 22.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 86.4 m-85 -162.22 136.95 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.558 HG23 ' CD ' ' A' ' 73' ' ' ARG . 14.5 t -119.5 178.37 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -88.21 136.13 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.4 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.95 -46.66 83.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -66.15 -23.17 66.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 HG23 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mt -80.35 -45.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 8' ' ' LEU . 56.9 t -56.18 -50.34 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -50.87 -47.85 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.97 -48.09 82.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.2 mtp -63.09 -29.96 71.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -63.47 -21.31 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -83.46 170.79 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -117.13 -39.03 3.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -90.43 -24.85 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.47 -173.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 1.2 tt -70.23 -178.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -153.75 94.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.493 ' HB ' HD22 ' A' ' 99' ' ' LEU . 4.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 28.2 p90 -129.29 135.48 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.2 mt -48.05 147.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -60.94 -26.03 64.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -80.36 -38.17 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.746 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -54.1 -43.56 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -68.06 -56.55 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.86 HG13 ' HB3' ' A' ' 59' ' ' ALA . 77.0 t -47.03 -64.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.74 -45.55 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 92.2 t90 -56.44 -67.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 62' ' ' LEU . 13.1 mt -37.62 -45.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.1 mt -62.6 -55.54 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -57.5 -30.83 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.1 m -72.62 -13.56 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' SER . 38.9 t30 80.73 18.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 15.9 m-85 -88.5 -25.15 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.61 159.39 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.815 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.8 -31.12 10.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' LEU . 6.8 t -144.03 157.89 44.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -38.5 -32.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -68.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.815 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.02 -31.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.5 -44.96 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.6 t -53.24 -44.26 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -43.58 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -55.22 -38.39 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -65.38 -57.75 7.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -53.07 -31.76 43.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.944 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.465 ' HB3' HD11 ' A' ' 8' ' ' LEU . 1.3 mtm -65.56 -45.82 81.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.729 ' CB ' HD21 ' A' ' 72' ' ' LEU . 5.4 mt -60.33 -46.06 91.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.885 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -56.58 -43.34 79.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -47.55 85.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.5 mm-40 -61.98 -12.21 17.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 31.9 t30 85.16 36.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.2 m-85 -103.51 -18.33 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.885 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -158.37 169.69 23.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.605 ' NH1' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -145.83 156.98 51.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 27.0 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.0 mt -141.7 173.77 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.0 74.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.93 -177.54 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -92.56 31.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 p -134.15 -51.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -46.27 123.19 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD22 ' HB ' ' A' ' 37' ' ' THR . 11.1 mt -108.8 144.9 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 66.7 m-85 -145.22 138.67 26.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' NH1' ' A' ' 73' ' ' ARG . 8.6 t -127.59 165.84 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 69.4 m-85 -82.77 127.34 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 11' ' ' ILE . 88.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.27 -47.31 86.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.49 -22.91 66.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 8' ' ' LEU . 80.6 mt -78.17 -43.01 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.756 HG21 ' CD1' ' A' ' 71' ' ' PHE . 76.2 t -63.38 -48.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -50.14 -42.19 50.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.4 tttt -63.7 -49.4 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.629 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.8 mmm -58.59 -36.32 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -58.01 -29.85 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.7 170.77 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -118.5 -41.55 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -58.99 -58.33 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.9 p -101.05 -19.74 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -72.26 -173.0 20.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -67.28 -178.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -148.35 91.29 4.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.812 ' OG1' HD22 ' A' ' 99' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.609 ' HE1' HD22 ' A' ' 43' ' ' LEU . 6.9 p90 -176.39 132.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 96' ' ' SER . 11.1 mt -39.71 140.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -59.76 -31.8 72.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -68.18 -38.38 81.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -34.95 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HE1' ' A' ' 38' ' ' PHE . 6.0 tp -74.65 -45.82 42.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 59' ' ' ALA . 43.4 t -56.13 -67.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.646 ' HA ' HD12 ' A' ' 48' ' ' ILE . 20.5 t0 -44.06 -37.84 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 83.3 t90 -63.86 -68.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 62' ' ' LEU . 37.5 mt -39.74 -34.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 45' ' ' ASP . 83.3 mt -67.01 -54.67 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' TRP . 12.5 t -69.89 -18.0 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.9 m -73.49 -14.13 61.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.8 t30 82.62 8.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE2' HG12 ' A' ' 11' ' ' ILE . 4.6 m-30 -92.49 -17.26 24.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 151.3 50.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.77 -24.99 14.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.67 166.41 32.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -41.31 -34.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -59.1 -74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 62' ' ' LEU . 29.5 mm-40 -39.91 -41.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.89 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -62.85 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 13.6 t -49.87 -41.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -45.85 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.2 mm? -49.87 -32.11 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.62 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -73.52 -57.53 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -55.23 -23.08 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 72' ' ' LEU . 10.2 mt -69.85 -44.9 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.852 ' CG ' HD12 ' A' ' 72' ' ' LEU . 12.6 mtm -55.9 -38.69 70.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -44.26 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -64.8 -8.46 15.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.918 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.9 OUTLIER 82.2 28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 14.9 m-85 -92.64 -29.83 15.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.852 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -143.01 170.7 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -155.12 151.85 23.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 13.0 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.507 0.194 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 -175.11 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.83 69.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.01 -171.49 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.812 ' O ' HD22 ' A' ' 39' ' ' LEU . 13.1 m -87.86 -24.3 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 11.4 p -71.47 -63.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.28 135.54 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.812 HD22 ' OG1' ' A' ' 37' ' ' THR . 5.1 mt -127.93 158.22 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 90.1 m-85 -162.59 131.02 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 73' ' ' ARG . 9.1 t -113.18 -159.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.449 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 16.4 m-85 -107.61 132.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 66' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -40.89 -30.63 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -87.91 -41.14 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -66.43 -55.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 71' ' ' PHE . 57.4 t -41.17 -52.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.87 -47.69 51.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.3 tttp -61.84 -53.36 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.614 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.0 mmm -55.39 -33.13 63.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -62.13 -17.19 57.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.73 156.67 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -109.07 -15.07 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -68.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.4 p -92.19 -6.99 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.83 -166.21 42.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.1 178.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -149.54 91.61 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 101' ' ' THR . 15.3 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 100' ' ' TYR . 43.8 p90 -129.58 135.74 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 96' ' ' SER . 40.2 mt -52.3 152.87 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 100' ' ' TYR . . . -60.72 -36.33 91.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -70.38 -39.05 74.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -51.69 -40.46 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 43' ' ' LEU . 5.8 tp -67.98 -51.75 43.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.966 HG13 ' HB3' ' A' ' 59' ' ' ALA . 89.1 t -51.57 -63.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -50.42 -44.04 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.9 t90 -56.81 -67.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' TRP . 27.6 mt -38.11 -50.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 56' ' ' ARG . 44.3 mt -61.33 -57.51 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 t -54.71 -25.52 27.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 30.2 m -83.8 -9.12 59.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.1 t30 78.25 19.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 11' ' ' ILE . 14.6 m-85 -88.8 -21.73 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.42 154.65 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.88 -35.39 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -146.05 160.76 41.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.64 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -38.79 -35.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -60.37 -68.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -42.41 -41.49 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.966 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -64.4 -43.96 92.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.1 t -56.54 -41.48 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -43.25 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -62.98 -32.18 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.99 -57.94 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 p -51.34 -31.19 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.622 ' HB3' HD21 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.42 -52.82 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.1 mt -51.42 -49.0 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.835 ' CG ' HD12 ' A' ' 72' ' ' LEU . 22.7 mtm -53.85 -50.26 66.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -47.3 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 8' ' ' LEU . 16.6 mm-40 -61.34 -12.37 13.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.641 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.0 t-20 84.22 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 17.7 m-85 -95.53 -26.31 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.19 172.06 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.05 155.97 32.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 40.7 t80 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.473 0.178 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.16 158.45 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.75 69.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 165.7 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.873 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.8 m -65.04 -44.22 89.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 21.4 p -52.39 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.93 118.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 39' ' ' LEU . 1.2 mt -109.47 161.18 15.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.682 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 79.4 m-85 -147.7 142.58 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.658 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.6 t -131.14 168.08 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -78.89 132.16 36.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 69' ' ' GLU . 75.9 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.735 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -51.27 -30.66 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 2.2 tpp180 -65.88 -12.27 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 52' ' ' PHE . 7.6 mt -109.81 -35.46 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 66' ' ' LEU . 2.1 m -64.41 -41.65 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.37 -44.95 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -34.07 74.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -72.8 -29.74 63.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -61.98 -16.1 48.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' THR . 16.9 t0 -88.71 156.22 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.9 t -115.31 -10.24 12.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m -96.88 -44.44 7.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.2 p -119.05 12.41 12.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.45 -168.51 18.6 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.14 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.39 179.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -144.29 89.9 6.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.571 HG22 ' HB ' ' A' ' 101' ' ' THR . 35.3 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 40.3 p90 -125.12 130.49 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD23 HD21 ' A' ' 99' ' ' LEU . 23.2 mt -50.1 146.65 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.86 53.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -67.0 -38.39 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 tp -64.26 -60.72 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.787 HG13 ' HB3' ' A' ' 59' ' ' ALA . 79.5 t -44.67 -59.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.58 -51.52 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 88.7 t90 -50.99 -66.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.049 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 11' ' ' ILE . 15.3 mt -35.78 -53.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 56' ' ' ARG . 49.2 mt -55.68 -61.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t -52.81 -28.47 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 15.4 m -72.95 -14.87 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.5 t30 81.62 15.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.907 ' CD2' HG23 ' A' ' 11' ' ' ILE . 19.9 m-85 -88.88 -16.94 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.59 162.66 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.878 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.78 -34.33 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 162.49 38.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -39.56 -34.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.346 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -60.52 -69.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.878 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 26.6 mt-10 -41.24 -36.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.787 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -75.96 -44.92 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.3 t -51.7 -46.17 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -44.26 67.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.68 -40.99 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -62.41 -58.69 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -55.2 -29.52 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.573 ' CE ' HD21 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 12' ' ' VAL . 3.0 mt -70.35 -42.83 71.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.825 ' HG3' HD12 ' A' ' 72' ' ' LEU . 5.2 mtm -57.54 -37.8 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -47.44 77.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.914 ' HG3' HD12 ' A' ' 8' ' ' LEU . 35.1 mm-40 -60.57 -12.3 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.919 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 26.2 t30 85.72 25.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -88.49 -32.97 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -140.99 171.05 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.21 153.68 28.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 12.3 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.507 0.194 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mt -136.24 169.76 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -133.36 70.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.26 167.64 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 39' ' ' LEU . 36.9 m -59.67 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' ALA . 3.0 p -39.62 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.19 138.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 mt -136.62 158.17 45.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 87.8 m-85 -159.78 135.76 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.8 t -113.54 -167.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.458 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.6 m-85 -101.06 130.46 47.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.82 93.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -105.22 112.74 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.29 62.82 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -152.74 -66.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 0.755 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.56 -58.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -90.63 -59.22 1.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 11' ' ' ILE . 74.2 mt -39.78 -34.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.727 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -54.47 39.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.01 -20.21 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 8' ' ' LEU . 97.0 mt -81.81 -43.68 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.629 HG21 ' CE2' ' A' ' 71' ' ' PHE . 75.4 t -62.92 -49.05 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -48.58 -41.44 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -52.22 57.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.619 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -56.95 -34.7 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -60.19 -19.96 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -90.21 159.89 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -109.54 -24.5 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -72.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.3 p -90.44 -13.18 35.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.54 -166.85 30.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -74.32 179.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -151.24 91.46 3.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.01 168.3 25.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.439 1.757 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 178.28 159.29 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.86 11.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -112.04 -26.57 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 mtp 57.34 69.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.786 ' HB3' HG11 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -61.56 -68.45 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -146.87 69.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.7 174.43 20.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 60.2 m 53.76 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 0.738 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -115.05 -35.56 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 32' ' ' SER . 44.6 m-85 55.93 88.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -94.57 126.93 40.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt 76.25 58.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.534 ' HB ' HD22 ' A' ' 99' ' ' LEU . 9.4 p -137.38 140.97 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 46.5 p90 -123.14 139.6 53.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 96' ' ' SER . 25.0 mt -60.98 145.56 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.76 -44.54 48.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -63.78 -35.97 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -40.6 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 4.7 tp -72.0 -55.39 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' A' ' 59' ' ' ALA . 72.6 t -47.49 -60.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.76 -43.27 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.8 t90 -57.09 -66.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.6 mt -38.01 -47.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 56' ' ' ARG . 50.3 mt -65.38 -56.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 t -53.6 -27.94 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -78.07 -14.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.027 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.4 t-20 82.91 20.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 19.9 m-85 -91.6 -18.33 24.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.85 157.54 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -97.71 -35.6 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.6 t -141.3 160.88 39.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.832 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.9 -36.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.46 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.806 ' O ' HD12 ' A' ' 62' ' ' LEU . 30.8 mt-10 -42.15 -33.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.44 -44.54 24.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' ARG . 42.5 t -53.15 -45.0 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -43.09 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.43 -36.59 76.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.26 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -57.79 -26.16 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG2' HD11 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -70.28 -40.27 74.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 12.5 mt -64.72 -46.07 83.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.856 ' HG3' HD12 ' A' ' 72' ' ' LEU . 10.8 mtm -54.51 -39.61 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.44 -12.29 9.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.573 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.4 t-20 85.9 32.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CE2' HG21 ' A' ' 12' ' ' VAL . 18.7 m-85 -99.64 -31.41 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.93 171.5 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.81 153.3 28.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.93 144.58 30.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.705 HG12 ' H ' ' A' ' 76' ' ' GLY . 1.9 t -111.33 -176.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.705 ' H ' HG12 ' A' ' 75' ' ' VAL . . . -54.08 -168.24 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG11 ' HB3' ' A' ' 29' ' ' GLU . 7.5 m 48.33 -158.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.29 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.4 m 63.76 73.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.04 171.92 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.83 -100.18 1.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.05 62.92 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mm -82.86 121.08 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.54 135.31 53.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 p -119.28 48.62 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.51 -66.51 0.84 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.68 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD11 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -47.2 -61.14 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 50.07 -178.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -133.13 44.35 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 86.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 23.6 t80 -177.52 124.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.12 164.85 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -123.12 73.94 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.42 -169.53 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.731 ' O ' HD22 ' A' ' 39' ' ' LEU . 18.0 m -89.7 -43.63 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 p -53.17 -59.8 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.03 133.16 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.534 HD22 ' HB ' ' A' ' 37' ' ' THR . 1.5 mt -126.33 166.49 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 76.2 m-85 -161.6 147.88 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.568 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.7 t -132.15 163.84 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' PHE . 11.6 m-85 -75.18 136.34 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -77.74 128.55 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -8.87 57.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.41 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -90.29 84.76 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 6.6 p90 -173.81 -175.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 10.6 mttm -69.29 105.73 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -139.1 99.36 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -49.41 159.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -154.0 148.25 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.3 m -44.48 103.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.3 t -145.14 78.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 68.98 72.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 164.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.21 111.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.53 155.08 20.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.2 13.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 167.53 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -123.28 167.28 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -160.33 113.29 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -145.17 115.91 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.25 58.67 1.61 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -174.69 70.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -101.53 -38.39 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -54.75 -45.21 79.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 11' ' ' ILE . 80.1 mt -42.86 -28.07 0.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 6' ' ' SER . 8.8 m170 -57.61 -48.51 79.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.8 -25.94 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 HD23 ' A' ' 8' ' ' LEU . 55.5 mt -76.54 -46.21 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 71' ' ' PHE . 95.3 t -58.04 -49.98 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.18 -46.15 54.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.33 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.605 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.4 mmm -55.54 -38.16 68.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -58.1 -24.36 58.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.53 164.36 23.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -115.65 -35.51 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -62.94 -58.9 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.5 p -104.15 -19.62 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.93 -170.37 17.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.03 177.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -151.85 92.79 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 91.47 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 100.46 42.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -58.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 40.34 54.55 2.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 41.75 59.35 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -48.06 -60.99 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -164.7 87.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.13 143.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.0 m 58.59 88.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 m -59.22 96.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CD1' HD13 ' A' ' 99' ' ' LEU . 31.1 m-85 -59.41 132.4 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -84.95 108.59 17.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm 46.14 87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.551 HG22 ' HB ' ' A' ' 101' ' ' THR . 19.4 p -147.62 151.18 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 34.2 p90 -126.72 134.55 50.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 96' ' ' SER . 28.6 mt -51.76 149.44 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.42 91.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.6 t -65.16 -38.05 89.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.9 -44.72 70.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.9 tp -66.26 -58.41 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.791 HG13 ' HB3' ' A' ' 59' ' ' ALA . 74.1 t -43.87 -65.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -48.18 -48.84 34.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.3 t90 -52.31 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD22 HD22 ' A' ' 62' ' ' LEU . 21.0 mt -39.12 -46.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.4 mt -62.17 -51.78 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' TRP . 13.7 t -60.76 -26.99 67.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 2.3 m -76.27 -0.83 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.944 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.63 20.11 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 11' ' ' ILE . 15.7 m-30 -92.5 -20.15 21.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.68 159.15 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.712 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.13 -34.15 9.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.37 161.77 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.835 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.22 -36.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.17 -67.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.788 ' O ' HD12 ' A' ' 62' ' ' LEU . 32.6 mt-10 -43.5 -33.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.791 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.64 -41.62 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 56' ' ' ARG . 34.1 t -55.82 -43.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -40.09 68.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.38 -36.51 80.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.65 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.75 -58.27 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -53.64 -29.91 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.402 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.18 -46.61 73.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.892 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 mt -59.5 -44.48 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.973 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.3 mtm -57.51 -41.57 81.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.51 93.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -63.65 -9.67 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-20 85.27 25.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.3 m-85 -95.48 -12.22 26.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.973 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -162.66 170.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.645 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 148.28 23.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.01 125.04 9.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 99' ' ' LEU . 12.0 m -89.15 -179.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.721 ' O ' HG22 ' A' ' 77' ' ' VAL . . . -58.41 -141.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 76' ' ' GLY . 7.1 m 50.1 -156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' HG23 ' A' ' 77' ' ' VAL . 34.3 mmt180 -42.31 -57.71 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 m -49.99 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.441 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 66.36 63.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.42 -96.97 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -93.45 -9.96 36.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 9.7 mm 56.86 163.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 129.24 34.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.7 t -109.94 47.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.9 69.41 1.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.36 -169.85 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.02 20.75 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.11 169.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' PHE . 15.6 pt-20 -120.9 30.97 6.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.5 88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE2' ' CZ ' ' A' ' 100' ' ' TYR . 25.9 t80 -162.02 144.48 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.1 mt -107.15 171.35 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -136.19 71.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.86 162.15 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' HD22 ' A' ' 39' ' ' LEU . 64.3 p -55.36 -56.78 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.4 p -37.21 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.46 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.713 ' HB3' HG21 ' A' ' 75' ' ' VAL . 3.6 mt -133.75 169.61 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CZ ' ' CE2' ' A' ' 92' ' ' PHE . 70.9 m-85 -166.06 142.38 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.645 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.1 t -126.66 178.63 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.5 m-85 -87.97 135.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -91.84 139.18 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ALA . 14.2 mm-40 35.64 -102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER 173.39 62.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 105' ' ' SER . 53.2 p90 40.51 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 8.4 pttt -60.7 113.17 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 107.91 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -63.0 131.42 48.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.24 150.69 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 m -42.69 104.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.29 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.84 76.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -154.52 98.7 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 p -167.56 -58.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.2 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.82 6.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.41 145.81 4.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.5 p 179.14 141.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.28 97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -162.94 107.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 54.73 169.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' SER . 9.1 m 63.95 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.9 t 87.9 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.05 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -111.1 -54.51 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 11' ' ' ILE . 22.3 mt -39.75 -35.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -56.13 18.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.57 -20.72 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 8' ' ' LEU . 52.3 mt -80.59 -44.32 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG21 ' CG ' ' A' ' 71' ' ' PHE . 66.2 t -63.2 -48.64 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -48.37 -51.12 27.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -56.44 -51.0 70.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.0 mtp -59.67 -23.53 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.11 -12.48 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -112.7 -5.37 13.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -88.38 0.7 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.07 -172.57 38.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.14 179.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -147.33 90.42 5.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 121.62 6.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -115.39 144.5 32.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.55 6.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -78.14 109.9 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 164.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.07 -57.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -168.86 102.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.34 55.81 1.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.11 107.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -88.86 120.25 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -94.57 98.35 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 137.61 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.56 45.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.596 HG22 ' HB ' ' A' ' 101' ' ' THR . 12.3 p -143.18 148.1 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' C ' HD23 ' A' ' 99' ' ' LEU . 43.2 p90 -126.08 133.17 51.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 96' ' ' SER . 32.7 mt -45.85 159.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -72.81 -30.07 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -74.86 -37.2 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -47.73 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 4.9 tp -59.77 -57.29 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.964 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 46.1 t -45.14 -71.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.8 -48.19 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.5 t90 -52.92 -66.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 62' ' ' LEU . 14.4 mt -38.14 -53.0 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 56' ' ' ARG . 55.7 mt -57.75 -55.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -53.81 -34.71 60.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -75.6 -4.41 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.6 t30 73.01 20.55 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.5 m-30 -91.31 -17.47 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.51 153.2 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.17 -44.07 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 p -139.13 163.84 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.66 -31.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.13 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -43.93 -41.16 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.964 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -64.59 -42.33 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' ARG . 18.9 t -59.15 -42.33 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -44.83 64.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.49 -30.46 65.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.17 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -52.12 -28.18 16.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.32 -42.98 78.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.806 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -64.24 -48.49 75.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.917 ' CG ' HD12 ' A' ' 72' ' ' LEU . 13.3 mtm -53.4 -42.48 67.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -47.46 80.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 9.1 mm-40 -59.54 -12.8 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 86.16 33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.3 m-85 -101.03 -22.65 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.917 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -150.66 173.27 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -149.97 149.68 28.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' O ' ' CG ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -75.06 104.82 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.6 t -68.82 164.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.511 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -50.08 -102.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.705 HG21 ' HB2' ' A' ' 99' ' ' LEU . 13.2 m 38.21 -145.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.564 ' N ' HG23 ' A' ' 77' ' ' VAL . 1.3 tpt180 -64.77 -48.61 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.0 m -54.51 -167.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 63.07 55.45 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.97 -80.17 1.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.37 42.21 3.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 1.2 mp -65.04 150.0 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -145.58 90.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.8 p -70.97 68.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.95 -42.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -83.69 169.15 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.8 tm? -78.15 -8.32 58.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -39.24 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -120.04 52.49 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.79 110.65 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.67 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 24.2 t80 -177.57 108.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.0 163.49 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.2 t70 -130.44 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.97 179.16 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.9 m -70.14 -46.71 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.3 p -49.97 -69.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -39.8 133.8 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -130.79 160.1 35.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 92' ' ' PHE . 98.3 m-85 -154.31 137.08 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 37' ' ' THR . 12.4 t -117.56 165.27 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -77.57 135.49 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.526 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -81.86 -1.36 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER 27.61 89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.473 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -163.62 88.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -165.02 170.05 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 117.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 126.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.88 118.9 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 p -173.13 155.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.2 m -75.03 78.97 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -177.68 158.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -121.85 160.02 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -159.52 -57.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.94 147.59 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.39 105.31 2.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -131.84 128.02 37.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 p -135.65 169.0 18.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -148.3 -55.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.771 . . . . 0.0 110.003 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -173.47 152.25 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.82 -105.64 1.44 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -93.67 43.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -54.12 -42.32 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -61.08 -62.63 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.623 ' HA ' HD12 ' A' ' 11' ' ' ILE . 97.9 mt -44.62 -27.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -62.19 -61.05 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.52 -21.31 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.624 HG23 ' CD2' ' A' ' 52' ' ' PHE . 76.1 mt -78.51 -43.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 71' ' ' PHE . 35.1 t -65.06 -49.76 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -42.43 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.604 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.4 mmm -54.76 -30.91 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 19.1 m-70 -64.63 -25.8 68.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.03 156.89 33.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -109.01 -11.67 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -97.57 -63.86 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 p -91.49 -5.6 53.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.66 -168.32 39.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.07 179.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -151.96 92.65 3.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.04 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 127.32 35.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.95 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.437 1.756 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -169.23 33.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 55.25 167.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -164.14 -51.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -133.64 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.58 -70.26 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.4 178.85 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 0.735 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.9 t -104.23 -16.51 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 43.62 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 20.2 mttt -70.99 -80.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -69.52 69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.819 ' HB ' HD12 ' A' ' 99' ' ' LEU . 10.3 p -152.38 142.59 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 38.8 p90 -127.85 128.32 45.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 96' ' ' SER . 10.5 mt -40.36 150.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.99 -33.2 83.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -71.73 -34.47 69.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -56.58 -50.52 71.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.4 tp -57.83 -47.78 81.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -53.5 -68.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.41 -34.8 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.8 t90 -64.67 -64.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -39.76 -50.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.7 mt -58.99 -57.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -54.12 -28.75 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.68 5.04 19.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.78 21.94 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.624 ' CD2' HG23 ' A' ' 11' ' ' ILE . 14.8 m-30 -93.23 -15.29 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.86 158.29 44.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.75 -36.73 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 158.94 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.774 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -38.53 -37.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.03 -67.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -42.38 -42.74 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.854 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -63.94 -42.49 97.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.5 t -60.1 -40.58 83.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -40.81 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.586 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -61.41 -28.56 69.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -67.98 -60.46 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -52.26 -33.66 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -37.16 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.6 mt -72.27 -44.83 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.912 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.7 mtm -58.39 -36.44 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' HG2' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -68.17 -45.85 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.81 -11.51 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.845 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 2.1 t-20 86.23 24.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -89.61 -29.32 18.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.912 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.18 173.2 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.555 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.29 155.47 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.1 Cg_endo -75.02 135.08 18.57 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 76' ' ' GLY . 39.7 t -124.6 169.12 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.525 ' N ' HG12 ' A' ' 75' ' ' VAL . . . 76.76 -124.35 7.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 m -128.92 -43.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.0 OUTLIER -63.13 147.6 50.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 3.6 t 86.45 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.501 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 57.8 mmm -59.51 95.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.692 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -133.03 56.9 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 83.6 -7.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 84' ' ' ARG . 1.4 mm 44.28 -168.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.731 ' H ' HG22 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -160.38 133.27 6.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.18 48.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' ASP . . . -174.16 -93.98 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' GLY . 1.6 m-20 -39.77 130.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.77 -57.93 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 46.73 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' PHE . 12.5 pt-20 -129.45 22.78 5.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.93 96.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 34.6 t80 -179.01 162.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 79' ' ' SER . 4.0 mt -132.18 171.16 14.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -133.74 68.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -169.99 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.415 ' CB ' HD13 ' A' ' 39' ' ' LEU . 23.9 m -102.35 15.97 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -118.68 -36.17 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.51 84.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.0 mm? -72.36 168.94 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 69.7 m-85 -164.79 137.68 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.555 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.8 t -126.95 163.37 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.98 132.96 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -77.33 143.23 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 105' ' ' SER . 3.4 mm-40 37.73 -102.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 0.5 OUTLIER 163.14 114.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -54.19 -171.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.056 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.45 135.84 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -175.16 146.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -69.42 158.56 34.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.06 98.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 t -105.28 -60.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m 63.94 167.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 172.85 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.29 143.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -174.94 168.97 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.58 98.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 p -163.8 148.82 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.3 82.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -178.48 112.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -166.95 107.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.44 32.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.7 p -39.77 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.7 t 85.57 -48.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 -48.07 4.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' HB3' HD23 ' A' ' 66' ' ' LEU . 77.8 mt -55.65 -57.35 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -50.24 -26.67 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 1.1 tpp180 -84.71 -38.99 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 HD23 ' A' ' 62' ' ' LEU . 3.1 mt -64.11 -51.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG21 ' CG ' ' A' ' 71' ' ' PHE . 53.1 t -55.1 -49.72 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -40.4 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -84.81 -53.09 5.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 mtm -58.43 -21.52 51.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' ND1' HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -71.38 -17.52 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -90.96 159.77 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 t -118.87 -0.25 11.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.4 m -102.45 -46.58 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 p -117.56 4.43 12.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.62 -161.27 26.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tt -72.49 178.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -145.09 90.37 6.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.04 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.45 124.7 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.75 43.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 177.68 103.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.87 113.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.57 55.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 48.19 54.14 10.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.9 -60.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.565 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -160.1 175.0 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.03 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 m -78.32 -37.38 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' O ' ' A' ' 32' ' ' SER . 29.9 m-85 52.9 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 111.79 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.75 90.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.869 HG22 ' HB ' ' A' ' 101' ' ' THR . 10.8 p -137.84 149.58 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 30.1 p90 -124.58 148.09 48.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.8 HD22 ' O ' ' A' ' 96' ' ' SER . 36.3 mt -64.33 152.0 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.56 -29.76 74.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -76.22 -32.28 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -57.89 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 43' ' ' LEU . 6.7 tp -51.75 -49.12 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.958 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 11.8 t -54.43 -77.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 44' ' ' VAL . 12.0 t0 -40.38 -39.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 15' ' ' MET . 82.1 t90 -61.18 -67.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.038 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD23 ' HD2' ' A' ' 52' ' ' PHE . 22.4 mt -39.18 -47.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.9 mt -61.36 -61.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 t -52.74 -31.71 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.9 t -73.88 -14.87 61.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' SER . 51.2 t30 83.64 18.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.0 m-30 -93.35 -14.88 26.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.35 152.86 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.92 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 172.61 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.749 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.7 mmt180 -48.32 -34.0 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.47 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.3 -42.34 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.958 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.87 -42.27 97.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 56' ' ' ARG . 39.5 t -59.96 -41.45 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -42.28 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.586 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.26 -28.79 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.94 -57.19 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -53.66 -23.85 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -47.45 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.861 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.9 mt -58.94 -42.75 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.869 ' HG3' HD12 ' A' ' 72' ' ' LEU . 12.9 mtm -58.22 -37.41 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -45.96 81.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.3 mm-40 -62.08 -11.67 15.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-20 85.96 29.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.8 m-85 -95.74 -26.87 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.869 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.92 167.39 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.593 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 150.45 28.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.99 146.4 32.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 99' ' ' LEU . 15.8 m -112.49 -175.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.647 ' O ' HG22 ' A' ' 77' ' ' VAL . . . -57.37 -157.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 76' ' ' GLY . 11.0 m 48.25 -152.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 77' ' ' VAL . 38.3 mmt180 -46.24 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 0.9 OUTLIER 81.24 -156.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.586 ' HA ' HD11 ' A' ' 83' ' ' ILE . 3.4 mtt 51.77 59.07 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.39 -132.1 3.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 84' ' ' ARG . . . -76.34 -2.95 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.626 HG22 ' H ' ' A' ' 84' ' ' ARG . 4.7 mm 45.38 -140.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.626 ' H ' HG22 ' A' ' 83' ' ' ILE . 3.2 mtp180 53.74 64.71 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 t -67.61 67.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . -90.43 -110.26 1.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' LEU . 1.6 m-20 -52.57 -176.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -39.2 -60.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 48.37 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -142.89 42.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -64.79 178.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.705 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 30.9 t80 62.63 145.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 11.2 mt -111.29 166.95 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.638 ' OD1' HG11 ' A' ' 44' ' ' VAL . 7.3 t70 -128.97 69.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.0 177.71 8.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.8 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.36 -24.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.453 ' CB ' ' HG3' ' A' ' 78' ' ' ARG . 46.2 p -69.84 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 93' ' ' LEU . . . -40.28 133.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' A' ' 75' ' ' VAL . 5.7 mt -129.78 168.09 17.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.705 ' CE2' ' CE2' ' A' ' 92' ' ' PHE . 99.3 m-85 -163.48 168.21 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.869 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.2 t -152.3 164.13 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -80.44 134.87 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -69.42 161.56 29.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -38.64 -35.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER 173.49 -164.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -127.82 -175.88 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -55.72 163.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.0 52.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.2 165.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 110' ' ' VAL . 14.6 p -78.09 65.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.23 170.67 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 171.03 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 154.98 45.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -108.21 -57.42 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.53 170.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.13 -172.15 18.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.06 4.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.14 172.06 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.4 -58.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -175.42 145.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.04 160.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.25 147.49 47.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p 46.57 77.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 4.3 t -106.85 -44.98 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -45.97 -51.42 10.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 11' ' ' ILE . 79.4 mt -44.35 -31.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.738 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.1 t-80 -57.21 -45.24 84.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.563 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.78 -21.18 66.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 52' ' ' PHE . 89.9 mt -82.12 -41.63 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG12 ' CD2' ' A' ' 16' ' ' HIS . 96.1 t -60.67 -43.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.33 -52.56 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 tttt -55.7 -50.8 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.9 mmm -54.66 -41.71 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.687 ' CD2' HG12 ' A' ' 12' ' ' VAL . 42.2 m-70 -53.97 -33.21 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.04 165.22 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -115.17 -31.85 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -73.48 -58.28 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 p -98.14 -14.26 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -79.3 -171.52 41.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.78 -178.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -153.05 92.31 3.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.95 131.85 14.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 159.29 54.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.96 157.56 42.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -178.03 98.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 141.97 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -141.21 -55.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -120.4 -60.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.08 -92.42 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.31 113.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 0.737 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -72.45 93.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 44.5 m-85 -68.41 91.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -11.68 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.04 51.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 101' ' ' THR . 24.2 p -146.83 155.24 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 39.8 p90 -123.6 141.09 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' O ' ' A' ' 96' ' ' SER . 24.3 mt -62.64 148.09 47.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.68 -36.57 65.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -67.86 -36.77 80.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -48.83 80.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -60.58 -53.85 52.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 59' ' ' ALA . 30.2 t -47.11 -70.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.97 -46.47 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 90.3 t90 -54.09 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -43.42 -53.92 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.736 HD11 ' HA ' ' A' ' 56' ' ' ARG . 65.0 mt -56.1 -59.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -53.92 -27.28 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -82.95 7.84 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.13 18.26 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' HD2' HD23 ' A' ' 47' ' ' LEU . 17.2 m-30 -90.53 -16.99 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.79 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.04 -37.46 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.63 161.11 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 48' ' ' ILE . 2.2 mpt_? -39.52 -38.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -57.98 -66.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -40.79 -45.28 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.78 -44.53 96.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 94' ' ' ASP . 30.9 t -58.39 -40.19 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -41.11 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -64.14 -34.5 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.15 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -48.82 -46.42 41.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -50.81 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.845 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.8 mt -55.07 -48.41 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.886 ' HG3' HD12 ' A' ' 72' ' ' LEU . 14.2 mtm -53.82 -37.78 63.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.564 ' OE1' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -65.51 -42.49 92.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.621 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mt-10 -68.28 -5.7 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.0 OUTLIER 81.16 20.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -86.61 -16.59 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -159.15 173.15 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.591 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.09 156.41 32.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.99 130.03 12.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.27 156.25 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.73 -177.99 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.1 m -72.49 -166.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.39 -58.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.475 ' O ' HD11 ' A' ' 83' ' ' ILE . 6.4 m -74.08 -45.01 51.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.9 mmt -61.66 -15.7 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.93 93.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.88 90.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 79' ' ' SER . 29.9 mm -92.83 146.14 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.49 152.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.42 49.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.75 60.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.72 144.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.033 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -48.48 -37.4 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.63 ' N ' HD13 ' A' ' 88' ' ' LEU . . . -36.22 142.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 64' ' ' SER . 3.6 mp0 -128.15 12.34 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' GLU . 2.9 tm0? 35.04 91.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.7 t80 -124.22 125.49 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -93.25 176.82 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.507 ' HB2' HG22 ' A' ' 60' ' ' VAL . 7.1 t70 -134.98 71.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.74 169.12 18.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.595 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.0 p -63.09 -56.59 15.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.6 p -43.59 -68.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -39.89 109.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.484 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.1 mt -101.53 165.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 95.6 m-85 -161.07 137.82 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.5 t -122.97 176.29 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.441 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 20.8 m-85 -82.6 133.95 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -85.69 141.79 29.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mt-10 37.11 -103.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 0.6 OUTLIER 165.87 123.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.027 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.646 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -52.84 -173.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.436 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 9.2 mttt -62.94 130.66 45.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -172.35 146.74 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.2 34.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.1 t 64.14 106.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -166.47 115.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.5 t -175.43 -58.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.92 164.42 33.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.41 128.1 35.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.54 -101.34 0.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.57 4.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.64 138.72 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -136.43 141.14 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -178.49 137.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.83 160.23 16.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.87 176.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 40.39 72.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -90.15 58.89 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -173.97 -58.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 12' ' ' VAL . 71.7 mt -38.19 -35.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 0.811 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.08 -55.93 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.99 -22.51 64.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 94.6 mt -79.27 -42.04 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 8' ' ' LEU . 65.1 t -62.32 -42.42 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -55.37 -52.99 61.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -55.22 26.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.1 mtp -49.36 -49.02 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -45.34 -35.47 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD2' ' N ' ' A' ' 19' ' ' SER . 10.5 t70 -69.8 163.87 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.88 -28.07 7.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -68.75 -63.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -101.13 -16.64 16.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.1 -159.75 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.31 155.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -126.0 88.95 53.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.33 25.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -113.78 163.34 18.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . 18.3 Cg_endo -74.98 -36.11 2.76 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PRO . 2.2 t30 -39.44 98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -91.82 -174.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' OE2' ' HB ' ' A' ' 97' ' ' THR . 26.2 tt0 -99.8 -53.81 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -170.8 130.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.63 -124.68 8.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.9 137.44 57.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.2 m -80.34 92.23 5.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' HB3' HG21 ' A' ' 37' ' ' THR . 21.4 m-85 -66.18 104.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -83.96 -60.72 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.74 59.81 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.814 ' HB ' HD11 ' A' ' 99' ' ' LEU . 2.9 p -145.54 144.27 30.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 99' ' ' LEU . 18.1 p90 -130.97 124.36 30.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.609 HD23 HD13 ' A' ' 99' ' ' LEU . 18.4 mt -43.51 157.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -27.36 69.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -74.1 -40.21 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -46.46 75.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' A' ' 47' ' ' LEU . 4.8 tp -61.99 -59.07 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.946 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 28.0 t -44.08 -72.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -41.91 -54.44 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.594 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 85.4 t90 -46.81 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' TRP . 24.9 mt -35.62 -56.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.4 mt -55.18 -53.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -55.95 -33.99 65.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.055 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 2.5 m -78.28 -7.33 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' SER . 41.2 t30 77.1 20.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 13.2 m-85 -88.8 -19.28 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.91 152.72 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.92 -42.07 12.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -138.49 165.62 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.0 mpt_? -43.93 -34.93 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.32 -64.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -43.45 -42.48 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.946 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.67 -42.83 98.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 56' ' ' ARG . 32.0 t -59.19 -38.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -41.0 62.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -29.03 70.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.08 -58.9 3.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 p -51.57 -31.11 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.491 ' HG2' HD11 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -66.37 -42.44 87.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.9 mt -66.64 -47.82 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.837 ' HG3' HD12 ' A' ' 72' ' ' LEU . 23.6 mtm -54.81 -40.24 69.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.62 82.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mm-40 -62.55 -10.51 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-20 83.86 36.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.0 m-85 -103.54 -23.1 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.837 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.67 173.58 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.11 155.74 34.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -75.05 140.66 25.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 100' ' ' TYR . 10.5 t -121.71 168.98 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' H ' HG12 ' A' ' 75' ' ' VAL . . . 73.64 -163.25 54.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -108.58 -32.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -52.71 -51.35 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 74' ' ' PRO . 86.8 p -97.0 80.31 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.52 ' CA ' HD12 ' A' ' 83' ' ' ILE . 2.4 mmt -160.64 -56.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' MET . . . 33.06 -97.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' MET . . . -143.06 52.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.52 HD12 ' CA ' ' A' ' 80' ' ' MET . 3.0 mt -66.72 138.07 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -147.56 144.48 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 58.38 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.46 -57.32 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . 4.5 m-20 -144.51 172.05 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.491 HD11 ' HG2' ' A' ' 65' ' ' MET . 1.5 tm? -39.89 -58.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.453 ' O ' HD13 ' A' ' 88' ' ' LEU . . . 49.64 -177.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' PHE . 11.5 pt-20 -134.13 20.23 3.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 91' ' ' GLN . 1.7 pp0? -45.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 29.9 t80 -177.61 130.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.26 159.24 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 94' ' ' ASP . 3.6 t0 -116.92 75.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.25 177.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.433 ' O ' HD22 ' A' ' 39' ' ' LEU . 6.3 p -74.96 -51.38 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.41 ' HB ' ' OE2' ' A' ' 29' ' ' GLU . 80.3 p -48.54 -59.68 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 113.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.814 HD11 ' HB ' ' A' ' 37' ' ' THR . 42.6 tp -115.14 155.0 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.716 ' HA ' HG23 ' A' ' 75' ' ' VAL . 92.3 m-85 -143.08 141.79 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.744 ' HB ' HG22 ' A' ' 37' ' ' THR . 10.2 t -122.33 176.3 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.06 132.15 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -76.2 175.64 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.31 110.71 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.3 p -163.26 50.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -166.82 -177.94 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -49.52 112.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -165.44 164.6 19.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -112.75 114.88 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.8 p -176.01 -38.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m 53.66 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -111.96 138.63 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -50.3 115.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -177.45 81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 m -118.0 158.04 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.07 52.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.87 5.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m 42.01 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.6 166.4 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.67 149.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -123.33 162.09 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.18 133.46 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 41.0 55.48 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.74 57.62 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -168.16 -53.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 HD12 ' A' ' 11' ' ' ILE . 88.7 mt -42.86 -30.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -59.02 -50.33 74.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.91 -22.58 59.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.544 HD12 HD23 ' A' ' 8' ' ' LEU . 79.6 mt -79.7 -44.87 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG12 ' CD2' ' A' ' 16' ' ' HIS . 74.1 t -59.26 -49.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.55 -45.34 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.626 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.6 mmm -58.88 -26.91 64.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.819 ' CD2' HG12 ' A' ' 12' ' ' VAL . 43.4 m-70 -70.43 -7.91 46.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.31 160.6 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -111.88 -26.92 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -63.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -103.22 -13.73 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.73 -179.55 52.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -152.55 92.16 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.417 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.02 167.57 26.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.05 145.22 0.53 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.05 32.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.7 t-20 -165.42 101.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.2 mtp -38.7 96.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' ASN . 7.3 tp10 -79.38 -59.22 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -156.92 60.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.24 -69.36 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.9 161.19 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -104.83 -22.68 13.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.469 ' HB3' HG21 ' A' ' 37' ' ' THR . 37.9 m-85 43.79 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.33 143.71 36.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 68.09 63.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 101' ' ' THR . 16.4 p -146.15 149.85 34.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.442 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -126.86 130.94 51.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 96' ' ' SER . 36.6 mt -43.16 157.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.38 -37.15 90.17 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -71.47 -37.2 71.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -46.88 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 38' ' ' PHE . 2.8 tp -61.93 -59.91 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 59' ' ' ALA . 85.7 t -43.04 -66.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -47.64 -46.77 29.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.2 t90 -55.43 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.697 HD22 HD22 ' A' ' 62' ' ' LEU . 15.7 mt -38.01 -38.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 70.5 mt -70.15 -54.43 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' TRP . 22.7 t -58.74 -30.03 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 3.1 m -70.23 -14.56 62.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' SER . 29.8 t30 81.81 18.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 22.8 m-30 -91.68 -22.71 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.69 160.58 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -103.92 -34.39 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.2 t -140.06 158.92 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -38.62 -34.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.534 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.06 -68.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.734 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.63 -31.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -80.69 -44.0 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.3 t -54.08 -43.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -40.0 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.56 -35.47 76.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.39 -58.65 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -51.92 -29.84 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -50.13 55.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -57.95 -45.66 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.931 ' CG ' HD12 ' A' ' 72' ' ' LEU . 17.3 mtm -56.11 -42.61 77.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -41.93 96.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.2 mm-40 -64.96 -8.08 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.94 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.1 t-20 83.54 20.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 21.5 m-85 -89.39 -14.2 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.931 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -161.52 173.21 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.91 149.58 23.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.94 108.45 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 100' ' ' TYR . 92.2 t -65.58 130.93 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 77' ' ' VAL . . . -61.54 -161.6 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER 80.72 -52.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.352 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -109.18 -69.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -73.5 -149.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.472 ' SD ' HD11 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 61.03 172.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . 112.89 57.87 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 84.06 61.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.708 HG23 ' HG3' ' A' ' 91' ' ' GLN . 2.8 mp -71.53 134.16 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.0 112.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.11 58.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.059 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' LEU . 14.1 m-20 -109.5 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' ASP . 1.6 tt -40.32 -52.58 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.73 176.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -145.78 44.71 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.708 ' HG3' HG23 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -60.68 92.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.833 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 27.5 t80 -177.6 123.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -95.9 176.97 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.18 71.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.92 166.02 25.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HD22 ' A' ' 39' ' ' LEU . 15.4 m -66.08 -49.82 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 98' ' ' ALA . 1.9 p -46.64 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -40.33 134.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -127.68 164.74 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.6 m-85 -151.13 139.06 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.644 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.7 t -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 17.6 m-85 -86.07 134.82 33.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -81.5 136.18 35.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 105' ' ' SER . 2.9 mt-10 47.83 23.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 104' ' ' GLU . 46.6 m 35.44 -108.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.432 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 1.5 t80 -123.36 178.28 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 -169.33 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.7 68.98 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -88.47 178.19 6.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 1.1 p -140.65 126.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.4 m -164.83 125.89 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.74 117.17 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 115.32 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.66 76.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.41 76.86 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 51.67 -154.22 4.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 97.72 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.18 127.42 41.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.24 102.1 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -160.39 -56.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -161.41 150.21 16.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.6 -95.4 0.85 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -98.19 52.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.8 52.65 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.964 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -174.74 -55.44 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD22 HD23 ' A' ' 66' ' ' LEU . 8.5 mt -39.86 -35.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -51.0 60.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -63.64 -22.05 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 8' ' ' LEU . 53.4 mt -79.73 -43.73 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 71' ' ' PHE . 73.3 t -61.56 -46.38 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -52.52 -48.75 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -48.87 78.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.5 mtp -62.59 -30.98 71.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -61.08 -19.45 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -90.86 155.57 18.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -109.0 -15.8 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -72.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -93.0 -11.4 33.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.46 -154.03 8.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.44 1.087 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.83 -179.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -150.44 92.27 4.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.88 5.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 162.62 17.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 40.9 82.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.1 mtp -38.91 110.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.91 85.75 5.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 40.84 54.67 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 82.75 1.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.9 m 172.67 172.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.76 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -151.0 -44.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 32' ' ' SER . 96.1 m-85 51.58 39.71 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER 40.5 -106.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.41 98.09 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.643 HG21 HG11 ' A' ' 75' ' ' VAL . 3.2 p -142.4 136.59 29.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 46.5 p90 -106.25 129.56 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 99' ' ' LEU . 15.1 mt -49.29 144.85 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -57.44 -38.58 87.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -43.61 77.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.0 -56.73 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' A' ' 59' ' ' ALA . 87.4 t -47.6 -61.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.5 -43.11 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 91.6 t90 -59.67 -67.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 62' ' ' LEU . 18.5 mt -37.35 -47.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.0 mt -62.15 -58.51 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -53.62 -30.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.2 m -73.66 -13.16 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.7 t30 81.5 20.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -90.52 -23.6 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.66 158.52 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.796 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -99.31 -34.77 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' ARG . 3.2 t -141.81 159.35 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.46 -33.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -62.54 -69.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.85 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.1 mt-10 -41.38 -33.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.07 -45.35 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 56' ' ' ARG . 29.9 t -52.5 -45.58 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.74 69.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.09 -41.23 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.606 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -63.57 -58.24 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 p -52.63 -36.32 56.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 2.0 mtm -60.13 -52.92 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.826 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.6 mt -49.98 -46.55 52.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 72' ' ' LEU . 15.6 mtm -55.44 -41.23 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.679 ' OE2' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -56.33 -55.68 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 71' ' ' PHE . 14.8 mp0 -58.53 -14.89 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 3.0 t-20 88.37 39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' A' ' 69' ' ' GLU . 21.5 m-85 -100.39 -21.26 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.22 174.24 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.569 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.86 156.88 33.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.459 ' CG ' HG12 ' A' ' 83' ' ' ILE . 18.4 Cg_endo -75.02 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.796 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.643 HG11 HG21 ' A' ' 37' ' ' THR . 42.1 t -91.42 135.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.31 -154.68 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.8 m -74.71 175.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 93' ' ' LEU . 6.0 mmp_? 64.7 32.07 11.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' HB2' ' A' ' 74' ' ' PRO . 61.4 p -177.39 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.785 ' HA ' HD11 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -83.74 44.57 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.78 -98.92 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -96.97 -34.44 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.785 HD11 ' HA ' ' A' ' 80' ' ' MET . 3.9 mp 59.43 143.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -43.59 -26.44 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.734 ' H ' HG22 ' A' ' 83' ' ' ILE . 1.6 t 36.89 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . 89.77 57.52 1.71 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -159.68 -175.71 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.679 HD22 ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -100.91 17.82 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' ARG . . . -55.05 144.33 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.58 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -89.22 118.95 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 46.9 t80 -177.71 146.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 2.8 mt -116.86 166.69 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 7.4 t70 -130.54 71.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.05 -172.7 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.405 ' HB2' HD13 ' A' ' 39' ' ' LEU . 79.5 p -97.76 16.91 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 p -119.42 -39.33 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 78' ' ' ARG . . . -68.04 84.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 39' ' ' LEU . 3.9 mm? -74.26 171.63 13.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 60.3 m-85 -165.67 140.44 4.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.569 HG23 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -126.56 165.94 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -79.42 135.08 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -78.02 165.68 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -108.1 117.4 34.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.91 65.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -178.86 148.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -63.14 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.633 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 6.0 tttt 173.99 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -90.8 150.52 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -110.04 -29.8 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER 37.4 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 88.36 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 159.76 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.15 102.12 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.85 136.25 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.09 100.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 m -95.4 166.19 11.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.89 140.44 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.28 -168.97 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -158.13 -175.01 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.87 168.6 23.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 m 41.9 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.78 -45.78 6.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.38 -58.07 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.05 -37.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' CD ' ' C ' ' A' ' 10' ' ' ARG . 2.0 tpp180 -71.38 -46.23 60.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 52' ' ' PHE . 6.2 mt -59.33 -50.26 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 16' ' ' HIS . 65.0 t -50.61 -51.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.475 ' OD1' ' CE ' ' A' ' 109' ' ' LYS . 1.7 m-20 -48.8 -36.65 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -51.09 20.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.608 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 2.6 mmm -60.04 -28.67 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.588 ' CD2' HG12 ' A' ' 12' ' ' VAL . 1.8 m-70 -66.04 -18.63 65.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 18' ' ' THR . 8.5 t0 -92.1 160.7 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 13.7 t -110.86 -18.65 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -76.57 -69.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -97.52 -3.31 40.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.68 -167.64 43.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.44 179.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -149.06 91.14 4.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 131.71 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 37' ' ' THR . 2.6 m -113.51 160.65 30.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.41 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 43.11 87.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttt -43.34 125.12 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.36 120.65 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 39.34 55.15 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.08 -70.14 1.55 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 102.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -78.54 115.9 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' HG23 ' A' ' 77' ' ' VAL . 52.1 m-85 -83.53 95.11 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -82.89 148.48 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt 66.72 55.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 101' ' ' THR . 21.7 p -148.41 151.42 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.437 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 45.9 p90 -132.5 133.49 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 99' ' ' LEU . 23.9 mt -50.36 150.91 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.18 -41.31 96.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -65.9 -38.63 89.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -51.66 -47.31 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.2 tp -62.1 -58.25 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.97 HG13 ' HB3' ' A' ' 59' ' ' ALA . 88.4 t -46.18 -61.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.45 -49.35 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.608 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.5 t90 -54.78 -65.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 107.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' TRP . 12.1 mt -38.6 -48.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 56' ' ' ARG . 58.2 mt -62.99 -57.26 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.8 t -53.62 -28.88 35.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 68.6 m -76.47 -12.8 60.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.4 t30 81.07 19.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.0 m-85 -89.56 -21.86 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.32 160.62 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.963 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.37 -35.07 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.58 156.36 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.946 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.26 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -65.0 -67.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.963 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 24.1 mt-10 -42.37 -39.91 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.97 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.7 -45.85 67.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.7 t -53.07 -46.02 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -42.61 88.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -61.71 -37.77 85.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.934 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -60.92 -60.85 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -49.4 -41.18 38.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -48.36 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.838 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 mt -60.01 -45.97 91.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 72' ' ' LEU . 18.2 mtm -57.09 -40.89 77.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -44.68 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.4 mm-40 -61.78 -11.38 12.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.887 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 8.1 t-20 86.75 23.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -91.32 -20.06 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -155.05 174.05 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.12 152.36 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -74.99 108.24 2.67 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.45 139.21 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 77' ' ' VAL . . . -60.74 -159.14 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER 80.29 -53.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' N ' HG12 ' A' ' 77' ' ' VAL . 22.6 tpt180 -117.7 -76.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -60.91 -146.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER 60.78 176.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.82 -86.54 0.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -102.84 -26.68 13.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 6.9 mm 58.62 154.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.35 40.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -81.46 78.88 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.05 -54.95 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -80.55 -177.8 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.9 tm? -65.89 -11.45 47.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -38.45 148.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.86 46.5 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.83 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.934 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 31.7 t80 -176.72 134.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.26 167.07 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.9 66.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.26 165.55 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 39' ' ' LEU . 75.5 m -61.17 -58.36 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 97' ' ' THR . 80.6 p -38.74 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' CA ' ' HG2' ' A' ' 78' ' ' ARG . . . -41.37 129.57 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -120.2 172.31 7.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 94.7 m-85 -163.39 139.85 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.621 HG22 ' HG2' ' A' ' 73' ' ' ARG . 13.6 t -122.57 174.25 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.3 m-85 -84.4 134.91 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -79.62 112.24 16.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.08 108.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p 176.4 82.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CZ ' ' CE1' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -136.78 163.98 29.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -142.9 29.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 107' ' ' LYS . 10.1 tptt 75.87 56.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' CE ' ' OD1' ' A' ' 13' ' ' ASP . 4.8 mtpt 38.38 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.12 71.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 127.04 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.49 117.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.35 -168.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 50.77 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 t -165.75 91.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.44 121.8 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.55 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 t 62.72 132.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -148.51 -56.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -157.72 169.7 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.48 -153.07 18.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.44 1.088 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -75.08 72.67 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 110.05 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.67 51.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -165.94 -55.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 12' ' ' VAL . 75.6 mt -41.53 -28.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' N ' ' C ' ' A' ' 7' ' ' GLY . 5.5 m170 -68.15 -55.98 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -64.19 -21.19 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CD2' ' A' ' 62' ' ' LEU . 96.8 mt -79.27 -40.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 71' ' ' PHE . 43.4 t -64.71 -36.82 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.44 -47.36 82.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.2 mtp -62.23 -32.97 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -60.19 -21.59 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -87.55 168.72 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -119.93 -37.92 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 m -59.34 -52.92 63.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.7 p -110.51 -19.74 12.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.57 -155.81 1.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -86.93 176.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -149.06 91.84 4.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.1 11.23 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -117.17 150.73 46.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.01 65.47 6.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' OD1' HD11 ' A' ' 39' ' ' LEU . 2.0 m-80 -53.11 -40.39 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 65.67 139.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.79 -45.31 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -159.36 -51.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.74 173.92 22.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.458 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 5.7 m 53.58 90.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.6 m -59.1 106.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 32' ' ' SER . 29.8 m-85 -90.39 75.35 6.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -14.39 59.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -111.0 53.7 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 101' ' ' THR . 28.1 p -150.25 154.63 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.663 ' HE2' HD22 ' A' ' 43' ' ' LEU . 6.8 p90 -133.98 133.68 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 96' ' ' SER . 26.5 mt -52.54 151.32 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.35 82.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -70.74 -36.27 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -37.72 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 38' ' ' PHE . 9.1 tp -72.69 -54.61 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.875 HG13 ' HB3' ' A' ' 59' ' ' ALA . 44.9 t -48.11 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.16 -44.1 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.596 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.3 t90 -57.89 -67.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 62' ' ' LEU . 18.7 mt -37.76 -47.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.5 mt -59.86 -53.16 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' TRP . 16.8 t -60.71 -30.86 70.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -69.79 -15.04 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.0 t30 81.86 18.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.688 ' HD2' HD23 ' A' ' 47' ' ' LEU . 22.8 m-30 -91.44 -23.09 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.64 160.0 35.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.75 -34.02 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' ARG . 4.3 t -141.6 158.77 43.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.974 ' O ' HG23 ' A' ' 60' ' ' VAL . 6.1 mpt_? -38.58 -34.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.529 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.14 -67.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.7 mt-10 -43.18 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.875 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -77.95 -45.43 23.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 56' ' ' ARG . 53.5 t -52.48 -44.21 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -41.38 72.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -56.85 -38.38 72.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -62.77 -59.8 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 p -53.74 -33.39 55.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.58 -44.37 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.8 mt -62.37 -43.41 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.735 ' HG3' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -57.95 -38.55 76.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.741 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -59.29 -49.85 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 2.8 mm-40 -63.84 -10.99 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.608 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.4 t-20 83.78 36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 12' ' ' VAL . 22.8 m-85 -97.71 -26.29 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.47 174.62 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.9 157.28 32.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.456 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 130.99 13.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.6 t -124.78 163.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . 87.51 -94.91 2.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' MET . 0.4 OUTLIER -177.88 -48.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 3.0 tpt85 -40.93 -48.36 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 19.7 m -64.99 -38.41 90.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.877 ' HA ' HD13 ' A' ' 83' ' ' ILE . 24.4 mmt -64.86 72.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' SER . . . -110.14 -78.25 0.98 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -108.9 39.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.877 HD13 ' HA ' ' A' ' 80' ' ' MET . 1.3 mp -61.47 164.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 83' ' ' ILE . 87.2 mmt-85 -139.25 154.34 47.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -107.41 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -179.34 82.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER 39.88 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.907 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.3 tm? 75.59 2.16 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.741 ' HB3' ' HG2' ' A' ' 68' ' ' GLU . . . -41.73 98.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.2 mt-10 -137.13 27.46 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.82 139.21 51.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 37.5 t80 -174.23 162.41 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 8.1 mt -129.85 176.34 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -139.46 68.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.72 -165.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.706 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.1 m -99.93 -20.46 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -79.41 -36.92 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 120.72 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.513 ' CD2' HD23 ' A' ' 39' ' ' LEU . 11.9 mt -109.25 158.32 17.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 92' ' ' PHE . 91.4 m-85 -156.62 137.64 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.613 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -124.24 174.24 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 38.2 m-85 -83.48 133.9 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -78.64 105.78 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 106.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.8 t -160.54 44.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.91 -174.42 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -65.74 120.63 13.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -176.5 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER 40.08 32.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 110' ' ' VAL . 14.0 p -45.38 98.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 109' ' ' LYS . 73.4 m 64.48 150.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 55.2 m -86.04 -64.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp 72.54 156.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 76.69 165.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.6 t 63.54 116.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -139.35 -86.21 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.06 19.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.26 157.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.9 m 44.02 90.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -80.5 167.86 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -166.17 101.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.89 -47.65 13.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -98.94 84.62 3.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -85.8 -49.17 8.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.77 -50.39 66.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 69' ' ' GLU . 50.0 mt -55.75 -60.45 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -47.05 -29.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -82.28 -44.3 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' SD ' ' A' ' 15' ' ' MET . 22.6 mt -64.06 -56.89 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG22 HD22 ' A' ' 66' ' ' LEU . 82.3 t -43.74 -56.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.0 -47.19 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -63.01 -55.22 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 11' ' ' ILE . 29.3 mtp -54.01 -25.34 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -70.01 -17.19 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.569 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.95 160.98 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -112.11 -9.15 13.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.438 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -84.43 -81.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.1 p -87.99 -12.29 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.03 -150.51 6.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -87.52 157.28 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -128.62 89.18 50.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 105.09 2.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.62 132.7 34.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 64.07 6.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -68.8 95.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.438 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 18.8 mtp -42.78 112.21 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -93.32 111.48 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 73.22 -60.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' HA2' ' CE ' ' A' ' 28' ' ' MET . . . 174.61 58.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.15 144.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.768 HG22 ' H ' ' A' ' 35' ' ' LYS . 26.7 m -84.83 141.62 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -106.13 21.28 17.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.768 ' H ' HG22 ' A' ' 33' ' ' THR . 1.1 mtmt 70.4 -168.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -67.83 106.9 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.652 HG22 ' HB ' ' A' ' 101' ' ' THR . 25.6 p -145.83 153.0 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 37.0 p90 -133.75 135.71 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 96' ' ' SER . 30.0 mt -53.8 158.17 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.665 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -69.87 -32.16 70.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -35.02 67.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -51.75 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.06 -62.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.886 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -37.21 -60.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 48' ' ' ILE . 19.9 t0 -53.18 -49.66 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 74.7 t90 -50.97 -60.51 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 11' ' ' ILE . 6.6 mt -39.28 -42.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.834 HD11 ' HA ' ' A' ' 56' ' ' ARG . 21.4 mt -67.23 -61.27 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -53.27 -25.82 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.589 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.5 t -75.05 -13.94 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.3 t-20 82.17 18.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -97.27 -13.57 21.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 154.04 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.03 -29.85 16.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 167.96 28.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -43.69 -31.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.322 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.84 -68.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -39.63 -44.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.85 -47.09 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' ARG . 20.7 t -54.15 -37.23 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -41.42 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.34 -36.24 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -66.55 -57.95 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -53.94 -32.32 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -39.17 93.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 mt -67.11 -44.37 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.956 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.6 mtm -57.52 -37.73 73.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -46.48 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mm-40 -61.42 -12.08 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.766 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 44.4 t30 86.86 28.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -94.83 -21.2 18.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.956 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.46 171.02 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.606 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.18 153.28 29.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.3 Cg_endo -75.02 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 99' ' ' LEU . 34.3 m -124.87 174.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 -167.78 40.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.19 -34.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -41.77 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.415 ' HA ' HD11 ' A' ' 93' ' ' LEU . 28.3 p -73.45 -149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.934 ' HA ' HD11 ' A' ' 83' ' ' ILE . 50.5 mmm 64.18 53.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.98 103.99 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 40.41 68.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.7 mp -80.97 122.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -102.6 136.86 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.6 m -125.17 54.14 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.66 -58.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.33 162.98 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -41.9 -59.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . . . 56.17 165.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -137.92 51.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.41 ' CD ' ' C ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -87.64 115.2 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 27.2 t80 -178.21 170.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -136.38 168.31 19.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -137.93 76.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.82 -170.92 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.958 ' O ' HD22 ' A' ' 39' ' ' LEU . 4.0 m -92.4 -36.81 12.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -65.47 -27.82 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.8 117.3 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 1.4 mt -106.65 173.75 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 70.0 m-85 -165.09 141.73 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.652 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.7 t -129.47 163.16 26.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.35 131.23 36.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -71.76 168.4 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -72.37 101.56 2.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -111.76 -156.38 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -52.78 167.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.87 110.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.773 ' O ' HG12 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -173.58 128.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -41.43 111.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 108' ' ' LYS . 12.8 p -171.88 147.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.21 128.87 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -95.53 142.19 28.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.29 173.64 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.06 138.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -162.84 164.74 25.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.69 171.34 27.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.5 p 179.03 138.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.42 163.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 p -177.16 158.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.48 -66.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.68 177.28 31.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 7' ' ' GLY . 1.7 m 41.1 42.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.69 63.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 171.96 -31.63 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.962 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.8 mt -78.44 -22.26 47.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -74.4 -45.09 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.636 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.13 -24.89 65.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 110.275 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 15' ' ' MET . 85.7 mt -79.18 -46.8 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 8' ' ' LEU . 90.1 t -60.31 -49.83 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.35 -44.69 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.668 ' HE1' HD13 ' A' ' 66' ' ' LEU . 33.8 mtp -61.36 -19.31 61.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.87 -10.94 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -101.03 164.21 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -113.09 -30.99 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -68.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -101.14 -21.22 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.94 -152.69 1.46 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tp -84.49 162.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -132.4 88.39 39.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo -75.03 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -92.74 157.33 39.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 61.75 5.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -70.19 108.89 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 ttp -45.28 138.89 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.16 104.27 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 48.11 49.27 17.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.98 98.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER 171.33 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 32' ' ' SER . 32.7 m 47.53 97.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.538 ' OH ' HG13 ' A' ' 77' ' ' VAL . 13.8 m-85 -83.48 120.25 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.25 139.43 30.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm 67.2 47.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 ' HB ' ' A' ' 101' ' ' THR . 1.8 p -142.59 130.54 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 41.7 p90 -115.85 135.22 54.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 96' ' ' SER . 22.1 mt -55.01 145.47 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.74 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -58.15 -33.98 71.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -28.14 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -52.73 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.816 HD22 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -64.74 -58.96 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.846 HG13 ' HB3' ' A' ' 59' ' ' ALA . 54.8 t -39.17 -55.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.681 ' HA ' HD12 ' A' ' 48' ' ' ILE . 16.9 t0 -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 76.0 t90 -52.54 -59.27 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' A' ' 43' ' ' LEU . 7.2 mt -40.42 -44.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 56' ' ' ARG . 36.2 mt -62.8 -61.16 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -53.32 -27.25 22.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.7 m -74.7 -14.37 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' SER . 3.8 t-20 81.26 19.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 21.7 m-85 -96.93 -13.76 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.88 156.39 48.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.6 -42.95 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.2 p -142.11 162.99 34.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -38.72 -35.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.37 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -42.45 -45.45 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.51 -45.18 95.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 31.0 t -56.63 -37.98 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -40.04 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.79 -35.87 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.23 -58.83 5.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -52.03 -35.3 46.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.575 ' HG2' HD21 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -63.82 -38.98 93.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.2 mt -68.32 -46.57 69.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 72' ' ' LEU . 4.5 mtm -54.03 -36.14 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -47.55 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.2 mm-40 -61.56 -12.21 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 84.9 38.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.693 ' CG ' HG21 ' A' ' 12' ' ' VAL . 19.6 m-85 -104.33 -26.45 12.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.25 169.45 18.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -137.95 155.34 74.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -74.97 -9.87 21.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 4.5 t 59.16 164.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.504 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -58.15 -159.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.538 HG13 ' OH ' ' A' ' 34' ' ' TYR . 10.3 m 39.86 -149.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 77' ' ' VAL . 17.2 mmt180 -39.02 151.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 80' ' ' MET . 3.7 t 61.49 99.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 79' ' ' SER . 0.0 OUTLIER 162.7 41.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.501 ' N ' HD12 ' A' ' 83' ' ' ILE . . . -74.83 -117.33 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.46 51.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 81' ' ' GLY . 2.5 mp -79.57 128.1 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -150.58 130.3 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -69.56 61.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.32 -53.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.67 130.89 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' A' ' 65' ' ' MET . 0.5 OUTLIER -49.4 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.03 -171.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' PHE . 14.7 pt-20 -127.69 29.51 5.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.25 89.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.6 t80 -178.68 123.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -93.94 161.4 14.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 2.1 t70 -123.2 77.78 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.85 -174.76 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.839 ' O ' HD22 ' A' ' 39' ' ' LEU . 14.9 m -83.61 -36.75 23.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.933 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 17.3 p -62.72 -68.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.08 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.653 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.8 mt -99.4 139.03 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 92' ' ' PHE . 69.8 m-85 -128.85 141.95 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.729 ' HB ' HG22 ' A' ' 37' ' ' THR . 13.6 t -124.71 173.6 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 10.5 m-85 -88.9 128.62 35.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -71.74 179.18 3.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.97 110.01 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.3 t -172.02 56.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.035 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 108' ' ' LYS . 7.2 p90 -175.59 178.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -43.46 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 106' ' ' TYR . 11.0 tttt -170.72 143.59 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -68.3 178.11 2.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.8 p 41.58 41.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 t -149.71 132.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -176.03 166.6 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.43 113.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -174.21 145.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.4 p -60.26 167.45 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -168.97 118.25 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.66 172.66 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.76 154.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.91 109.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 63.31 131.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -130.81 10.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 p -68.98 80.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -87.93 -44.73 10.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.45 11.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 12' ' ' VAL . 90.3 mt -56.15 -48.7 75.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -31.01 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.99 -40.61 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.901 HG22 ' SD ' ' A' ' 15' ' ' MET . 8.0 mt -65.07 -55.88 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 8' ' ' LEU . 61.3 t -41.82 -55.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -45.84 -53.03 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -50.87 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.901 ' SD ' HG22 ' A' ' 11' ' ' ILE . 21.5 mtp -57.92 -38.16 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.404 ' ND1' HG12 ' A' ' 12' ' ' VAL . 3.9 m80 -55.12 -20.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.04 161.32 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -111.36 -24.41 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 -66.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 p -92.07 -5.85 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.37 -164.27 38.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.043 HG23 ' HD3' ' A' ' 24' ' ' PRO . 1.9 tt -73.95 177.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 71.23 71.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.043 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo -74.99 63.38 5.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -71.84 161.38 79.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 40.32 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mtp -44.01 105.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -53.57 56.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -151.31 -46.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.36 58.83 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -179.95 150.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -104.29 -25.25 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 32' ' ' SER . 69.7 m-85 54.44 30.24 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 42.42 48.26 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm 63.44 118.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.478 HG21 HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -152.26 155.59 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.35 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 100' ' ' TYR . 54.6 p90 -114.35 132.68 56.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 96' ' ' SER . 20.6 mt -53.79 158.1 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.9 -32.44 77.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -34.34 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -47.84 83.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 8.3 tp -60.19 -50.59 73.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 38.1 t -51.05 -73.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.21 -42.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.7 t90 -61.53 -67.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.3 mt -37.79 -47.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.8 mt -63.54 -57.31 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -54.2 -28.63 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 67.4 m -79.29 -13.27 59.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 24.3 t-20 81.13 21.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -91.24 -21.43 21.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.81 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.89 -37.29 9.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.9 159.05 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.85 -34.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.69 -67.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -41.34 -44.28 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.834 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -62.62 -44.2 96.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 56' ' ' ARG . 37.8 t -57.94 -40.45 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.56 -41.89 65.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.65 -29.61 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.89 -59.04 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 p -54.11 -34.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.7 -36.97 82.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.0 mt -69.58 -49.21 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.967 ' HG3' HD12 ' A' ' 72' ' ' LEU . 17.4 mtm -54.31 -40.37 67.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -48.47 73.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.6 mm-40 -60.62 -12.61 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 85.83 41.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -108.56 -23.79 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.967 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.4 172.87 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.56 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.85 155.05 32.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.444 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.01 133.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.478 HG11 HG21 ' A' ' 37' ' ' THR . 85.1 t -123.46 157.93 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.05 164.83 2.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 m -50.63 -43.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CD ' ' HB ' ' A' ' 97' ' ' THR . 29.4 mmt180 -66.51 -178.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 1.6 p 69.48 -61.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.56 ' HA ' HD11 ' A' ' 83' ' ' ILE . 3.3 mtt -47.43 112.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -132.62 70.53 0.52 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 87.08 -41.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.241 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.7 mm 66.29 -140.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.545 ' H ' HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER 70.86 105.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -68.84 65.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.969 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . -82.08 -109.59 0.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -87.7 171.98 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.71 -56.64 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 48.66 -174.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' PHE . 11.5 pt-20 -137.17 19.33 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -36.77 96.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 43.8 t80 -178.37 159.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.48 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 9.4 mt -126.32 164.03 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -129.07 65.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.04 -175.24 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.779 ' O ' HD22 ' A' ' 39' ' ' LEU . 72.4 m -72.79 -35.42 67.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.443 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 76.0 p -84.73 73.81 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -175.98 75.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 39' ' ' LEU . 2.0 mm? -68.82 166.17 18.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 44.2 m-85 -168.42 138.44 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.56 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.9 t -129.31 163.68 25.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -77.91 129.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -70.4 -175.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -55.49 -21.5 16.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.582 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER 51.04 100.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 105' ' ' SER . 50.9 p90 40.56 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD2' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -54.06 118.78 4.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 132.01 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.442 ' C ' HG23 ' A' ' 110' ' ' VAL . 1.6 pttt -68.76 117.65 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.442 HG23 ' C ' ' A' ' 109' ' ' LYS . 91.7 t -154.1 128.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.61 96.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 82.9 p -178.54 151.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.62 109.71 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -176.45 132.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.43 156.01 38.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.67 97.22 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 83.96 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.3 87.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.12 136.45 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.434 1.084 . . . . 0.0 110.996 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -169.8 111.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.14 93.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.85 -127.63 2.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.1 p -39.43 -65.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 38.05 35.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.85 -40.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 12' ' ' VAL . 82.4 mt -81.26 -19.4 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -72.62 -52.18 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.638 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.48 -29.4 70.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.553 HG22 ' SD ' ' A' ' 15' ' ' MET . 94.4 mt -73.61 -50.47 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 8' ' ' LEU . 85.5 t -56.74 -46.5 83.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.58 -47.88 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -60.33 -42.73 96.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 34.3 mtp -67.78 -26.55 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.58 -12.68 55.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.98 167.09 11.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -113.95 -30.03 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -66.37 -69.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -100.61 4.63 43.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.39 170.73 19.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 43' ' ' LEU . 3.1 tp -40.23 156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -130.25 88.77 46.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.4 Cg_endo -74.95 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 61.7 132.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.45 5.45 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -88.15 114.61 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 mtp -47.3 110.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -69.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -158.19 40.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.71 112.65 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m 64.3 147.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.556 HG22 ' H ' ' A' ' 35' ' ' LYS . 6.0 m -72.91 137.12 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -98.39 35.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.556 ' H ' HG22 ' A' ' 33' ' ' THR . 0.9 OUTLIER 54.59 -167.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -66.37 100.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.884 ' HB ' HD22 ' A' ' 99' ' ' LEU . 2.3 p -137.68 133.82 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 26.2 p90 -121.84 130.09 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 96' ' ' SER . 21.0 mt -44.35 157.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.04 63.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -36.07 76.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.16 94.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.45 -70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 59' ' ' ALA . 2.6 t -31.9 -66.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 t0 -41.94 -56.74 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 86.9 t90 -46.85 -62.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.02 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 43' ' ' LEU . 7.7 mt -39.75 -42.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 56' ' ' ARG . 30.7 mt -68.1 -58.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -52.56 -30.47 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 24.4 m -72.9 -13.26 61.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' SER . 49.6 t30 80.06 20.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 20.7 m-85 -94.63 -15.98 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.22 49.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.84 -31.7 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.9 165.61 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.7 mpt_? -41.67 -33.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.21 -69.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 61' ' ' THR . 7.5 mm-40 -39.12 -45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.33 -48.61 80.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.7 t -51.66 -38.35 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -77.27 -40.91 42.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.56 -32.23 73.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -69.1 -58.69 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 90' ' ' GLU . 6.9 p -54.93 -31.34 60.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.16 86.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.7 mt -68.68 -50.21 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.797 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.0 mtm -50.08 -35.94 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -45.44 65.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.3 mm-40 -61.26 -11.99 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 21.7 t30 86.93 31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.857 ' CG ' HG21 ' A' ' 12' ' ' VAL . 18.6 m-85 -98.24 -31.78 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.52 170.98 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.664 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.71 149.88 23.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 99' ' ' LEU . 8.1 m -88.48 149.5 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.585 ' O ' HG13 ' A' ' 77' ' ' VAL . . . -73.41 91.46 0.65 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.608 HG23 ' H ' ' A' ' 78' ' ' ARG . 8.0 m -156.55 -59.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.608 ' H ' HG23 ' A' ' 77' ' ' VAL . 11.0 tpt85 -135.48 -55.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.54 86.65 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.23 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.91 -88.23 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.05 68.04 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.0 mm -92.72 137.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.76 116.05 18.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.7 p -110.61 60.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.31 -66.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -57.2 177.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 18.54 17.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.49 171.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.407 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 15.8 mt-10 -122.63 46.7 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 110.02 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 50.4 t80 -178.39 145.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -112.86 163.29 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.7 69.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.43 176.19 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.715 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.9 m -69.39 -46.45 66.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 98' ' ' ALA . 33.5 p -53.21 -71.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -38.83 126.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -121.62 167.15 13.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.442 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 72.8 m-85 -159.92 143.8 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.664 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.1 t -124.6 -172.38 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -103.35 132.4 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -72.42 167.96 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -45.78 -27.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER 60.05 152.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.958 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' LYS . 52.8 p90 -42.02 165.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -39.45 117.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.361 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 14.1 tmtt? -177.2 128.42 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -40.6 121.85 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.7 p -172.57 136.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.62 94.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 157.34 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.34 110.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.55 154.73 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.75 160.49 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.35 97.96 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.137 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.52 8.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.67 139.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.14 167.7 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t 63.3 168.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.46 142.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.09 -126.33 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLY . 88.3 p 42.03 48.65 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 p -69.38 60.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . 161.37 -59.58 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 11' ' ' ILE . 85.6 mt -43.22 -31.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -44.08 69.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -66.1 -23.76 66.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 8' ' ' LEU . 70.1 mt -77.82 -43.04 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 71' ' ' PHE . 77.6 t -64.03 -43.12 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -55.75 -44.32 77.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -61.65 -43.16 99.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.598 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -66.73 -30.52 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -61.23 -19.13 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.654 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -89.7 165.75 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -112.65 -40.77 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 m -60.09 -67.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.6 p -90.71 -24.36 20.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -67.91 -163.53 2.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.82 178.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -153.34 92.54 3.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 m -109.11 128.08 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.0 30.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' MET . 18.2 p-10 -175.28 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER 46.12 97.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 18.5 mm-40 -105.19 98.53 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 40.29 72.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.14 161.11 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER 60.73 80.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.963 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 m -53.73 126.79 23.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' ' 29' ' ' GLU . 19.3 m-85 -105.1 98.56 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -73.19 -76.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 37' ' ' THR . 11.5 mtpp -67.64 70.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.721 ' HB ' HD12 ' A' ' 99' ' ' LEU . 15.1 p -157.82 144.43 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -127.55 128.24 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PHE . 20.6 mt -39.92 144.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.39 -36.42 91.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -67.98 -42.03 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -50.36 -44.03 54.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.3 tp -64.55 -54.69 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' A' ' 59' ' ' ALA . 63.2 t -47.5 -67.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.0 t0 -47.43 -46.55 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.1 t90 -53.43 -64.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD13 ' CB ' ' A' ' 62' ' ' LEU . 32.4 mt -41.64 -52.24 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 87.8 mt -47.7 -66.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -56.7 -28.77 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -62.84 -13.77 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.1 t30 80.74 10.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 5.2 m-30 -92.1 -16.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.2 159.1 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' OE1' ' A' ' 58' ' ' GLU . . . -104.61 -31.77 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 162.67 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.9 mtp180 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -56.2 -70.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.858 ' OE1' ' HB3' ' A' ' 54' ' ' ALA . 15.1 mt-10 -43.39 -38.08 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.53 -49.88 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 56' ' ' ARG . 4.3 t -42.11 -48.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -65.72 -48.69 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.737 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.1 mm? -45.47 -33.36 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.692 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -72.04 -57.61 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -55.08 -28.99 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.34 -42.95 78.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.914 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.0 mt -68.38 -44.03 76.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.855 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.3 mtm -58.8 -38.15 77.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.32 74.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 73.1 mm-40 -63.46 -10.09 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.7 t-20 84.3 34.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.713 ' O ' HD23 ' A' ' 72' ' ' LEU . 20.4 m-85 -103.34 -6.13 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -168.73 165.03 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG3' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -147.2 153.81 45.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.0 138.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.91 150.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.504 ' C ' HG13 ' A' ' 77' ' ' VAL . . . -48.39 165.02 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.504 HG13 ' C ' ' A' ' 76' ' ' GLY . 0.8 OUTLIER 54.75 167.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' CD ' ' HB ' ' A' ' 97' ' ' THR . 27.8 mmt180 49.1 -91.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.1 t -59.4 -153.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.574 ' HA ' HD11 ' A' ' 83' ' ' ILE . 2.1 mtt 55.78 56.27 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.58 102.95 2.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 50.09 71.58 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.774 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 80' ' ' MET . 12.2 mm -80.67 130.57 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 134.61 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 p -108.93 57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.24 -55.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -103.94 168.96 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.68 -55.63 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 45.95 -167.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' PHE . 12.5 pt-20 -125.82 20.12 7.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -38.26 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.692 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 39.1 t80 -177.56 157.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 5.6 mt -117.74 -177.17 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.67 71.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.58 -179.31 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.8 p -93.39 21.25 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.513 ' O ' HD23 ' A' ' 99' ' ' LEU . 23.7 p -125.46 -44.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 100' ' ' TYR . . . -59.9 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.721 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.2 mm? -72.86 166.63 22.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 86.4 m-85 -162.22 136.95 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.558 HG23 ' CD ' ' A' ' 73' ' ' ARG . 14.5 t -119.5 178.37 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -88.21 136.13 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 73' ' ' ARG . . . -79.5 117.04 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.41 109.62 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.48 68.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 p90 178.39 169.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -49.37 116.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 171.8 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -110.35 175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 110' ' ' VAL . 8.1 p -105.2 112.66 39.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.29 114.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.97 149.28 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 141.18 41.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -172.85 91.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 98.0 p -167.04 136.33 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.56 -159.54 14.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.48 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.563 1.823 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.7 p -139.08 -58.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -171.7 141.77 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 61.17 168.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -79.97 172.18 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.7 -100.9 2.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 p -52.52 143.17 16.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.026 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p 174.82 -50.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -68.34 -39.02 87.85 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.4 mt -44.19 -26.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' N ' ' C ' ' A' ' 7' ' ' GLY . 1.3 t-80 -63.95 -46.66 83.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -66.15 -23.17 66.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 HG23 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mt -80.35 -45.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 8' ' ' LEU . 56.9 t -56.18 -50.34 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -50.87 -47.85 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.97 -48.09 82.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.2 mtp -63.09 -29.96 71.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.519 ' CE1' ' CE2' ' A' ' 106' ' ' TYR . 2.2 m80 -63.47 -21.31 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -83.46 170.79 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -117.13 -39.03 3.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -90.43 -24.85 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.47 -173.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 1.2 tt -70.23 -178.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -153.75 94.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -59.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.96 96.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 56.27 4.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -80.27 58.54 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.02 164.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.29 -52.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -156.51 66.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 -52.33 4.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 141.28 37.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 m -107.61 82.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -48.42 158.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -106.35 107.9 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 52.79 89.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.493 ' HB ' HD22 ' A' ' 99' ' ' LEU . 4.2 p -147.93 140.01 24.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 28.2 p90 -129.29 135.48 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.2 mt -48.05 147.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -60.94 -26.03 64.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -80.36 -38.17 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.746 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -54.1 -43.56 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -68.06 -56.55 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.86 HG13 ' HB3' ' A' ' 59' ' ' ALA . 77.0 t -47.03 -64.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.74 -45.55 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 92.2 t90 -56.44 -67.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 62' ' ' LEU . 13.1 mt -37.62 -45.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.1 mt -62.6 -55.54 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -57.5 -30.83 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.1 m -72.62 -13.56 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' SER . 38.9 t30 80.73 18.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 15.9 m-85 -88.5 -25.15 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.61 159.39 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.815 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.8 -31.12 10.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' LEU . 6.8 t -144.03 157.89 44.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -38.5 -32.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -68.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.815 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.02 -31.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.5 -44.96 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.6 t -53.24 -44.26 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -43.58 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -55.22 -38.39 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -65.38 -57.75 7.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -53.07 -31.76 43.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.944 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.465 ' HB3' HD11 ' A' ' 8' ' ' LEU . 1.3 mtm -65.56 -45.82 81.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.729 ' CB ' HD21 ' A' ' 72' ' ' LEU . 5.4 mt -60.33 -46.06 91.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.885 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -56.58 -43.34 79.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -47.55 85.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.5 mm-40 -61.98 -12.21 17.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 31.9 t30 85.16 36.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.2 m-85 -103.51 -18.33 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.885 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -158.37 169.69 23.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.605 ' NH1' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -145.83 156.98 51.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.99 132.35 15.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -130.32 162.06 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . 86.11 166.74 42.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 m -71.95 -31.32 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.78 -62.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' CG ' ' A' ' 80' ' ' MET . 8.1 t -72.0 -168.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.835 ' HA ' HD11 ' A' ' 83' ' ' ILE . 1.5 ptp 41.51 -163.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 129.24 -32.6 3.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . -166.15 -47.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.1 mp 40.53 -127.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.52 ' H ' HG22 ' A' ' 83' ' ' ILE . 22.1 mmt180 63.7 17.12 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.52 79.59 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' ASP . . . -56.92 -109.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 89' ' ' ALA . 3.6 p-10 39.0 -157.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 25.4 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . . . -53.64 175.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' PHE . 10.6 mt-10 -135.73 46.82 2.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 77.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 27.0 t80 -156.5 172.83 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.0 mt -141.7 173.77 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.0 74.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.93 -177.54 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -92.56 31.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 p -134.15 -51.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -46.27 123.19 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD22 ' HB ' ' A' ' 37' ' ' THR . 11.1 mt -108.8 144.9 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 66.7 m-85 -145.22 138.67 26.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' NH1' ' A' ' 73' ' ' ARG . 8.6 t -127.59 165.84 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 69.4 m-85 -82.77 127.34 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 73' ' ' ARG . . . -71.25 149.1 46.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 105' ' ' SER . 5.3 mt-10 79.97 -52.05 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 1.4 m 80.69 153.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.519 ' CE2' ' CE1' ' A' ' 16' ' ' HIS . 8.4 p90 -151.71 -170.02 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -50.07 100.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.2 84.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -72.61 144.22 47.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.9 t -142.5 122.38 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.22 155.27 16.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 157.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.14 150.17 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -179.99 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.7 p -42.51 159.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -174.49 152.25 14.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.58 6.68 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.56 148.63 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.02 88.24 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m 60.61 162.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.4 -156.66 15.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -76.22 57.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -72.73 -14.18 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.5 -27.01 33.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 11' ' ' ILE . 88.5 mt -79.15 -26.16 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.27 -47.31 86.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.49 -22.91 66.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 8' ' ' LEU . 80.6 mt -78.17 -43.01 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.756 HG21 ' CD1' ' A' ' 71' ' ' PHE . 76.2 t -63.38 -48.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -50.14 -42.19 50.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.4 tttt -63.7 -49.4 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.629 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.8 mmm -58.59 -36.32 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 12' ' ' VAL . 16.3 m-70 -58.01 -29.85 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.7 170.77 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -118.5 -41.55 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -58.99 -58.33 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.9 p -101.05 -19.74 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -72.26 -173.0 20.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -67.28 -178.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -148.35 91.29 4.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -64.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.28 169.75 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 63.52 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -72.33 125.68 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.61 132.87 38.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -108.79 -55.43 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -143.91 -65.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.64 -58.63 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.57 117.87 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' LYS . 95.3 m-85 -62.81 83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -46.73 -26.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.651 ' C ' HG23 ' A' ' 37' ' ' THR . 11.3 mtmm -105.92 -169.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.812 ' OG1' HD22 ' A' ' 99' ' ' LEU . 1.1 p 63.28 -174.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.609 ' HE1' HD22 ' A' ' 43' ' ' LEU . 6.9 p90 -176.39 132.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 96' ' ' SER . 11.1 mt -39.71 140.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -59.76 -31.8 72.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -68.18 -38.38 81.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -34.95 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HE1' ' A' ' 38' ' ' PHE . 6.0 tp -74.65 -45.82 42.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 59' ' ' ALA . 43.4 t -56.13 -67.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.646 ' HA ' HD12 ' A' ' 48' ' ' ILE . 20.5 t0 -44.06 -37.84 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 83.3 t90 -63.86 -68.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 62' ' ' LEU . 37.5 mt -39.74 -34.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 45' ' ' ASP . 83.3 mt -67.01 -54.67 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' TRP . 12.5 t -69.89 -18.0 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.9 m -73.49 -14.13 61.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.8 t30 82.62 8.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE2' HG12 ' A' ' 11' ' ' ILE . 4.6 m-30 -92.49 -17.26 24.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 151.3 50.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.77 -24.99 14.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.67 166.41 32.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -41.31 -34.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -59.1 -74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 62' ' ' LEU . 29.5 mm-40 -39.91 -41.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.89 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -62.85 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 13.6 t -49.87 -41.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -45.85 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.2 mm? -49.87 -32.11 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.62 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -73.52 -57.53 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -55.23 -23.08 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 72' ' ' LEU . 10.2 mt -69.85 -44.9 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.852 ' CG ' HD12 ' A' ' 72' ' ' LEU . 12.6 mtm -55.9 -38.69 70.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -44.26 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -64.8 -8.46 15.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.918 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.9 OUTLIER 82.2 28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 14.9 m-85 -92.64 -29.83 15.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.852 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -143.01 170.7 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -155.12 151.85 23.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' HB2' ' CA ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -75.08 143.32 28.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 76' ' ' GLY . 1.5 t -101.03 176.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.73 ' O ' HG22 ' A' ' 77' ' ' VAL . . . -42.58 169.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 76' ' ' GLY . 10.9 m 50.21 -152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.563 ' O ' ' CB ' ' A' ' 79' ' ' SER . 4.6 mmt180 -36.5 153.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.579 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 m 90.32 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.469 ' CA ' ' HB2' ' A' ' 74' ' ' PRO . 1.1 ppp? -92.33 171.04 9.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.46 ' N ' ' SD ' ' A' ' 80' ' ' MET . . . 122.26 -92.13 0.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.53 68.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.839 HG23 ' HG3' ' A' ' 91' ' ' GLN . 2.3 mp -83.57 132.78 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.84 115.4 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 m -108.56 58.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.17 -56.84 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.11 179.54 6.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.15 -44.45 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.81 -170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' PHE . 10.5 pt-20 -127.44 23.98 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.839 ' HG3' HG23 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -39.54 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 13.0 t80 -179.65 164.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 -175.11 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.83 69.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.01 -171.49 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.812 ' O ' HD22 ' A' ' 39' ' ' LEU . 13.1 m -87.86 -24.3 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 11.4 p -71.47 -63.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.28 135.54 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.812 HD22 ' OG1' ' A' ' 37' ' ' THR . 5.1 mt -127.93 158.22 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 90.1 m-85 -162.59 131.02 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 73' ' ' ARG . 9.1 t -113.18 -159.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.449 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 16.4 m-85 -107.61 132.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -77.17 163.23 26.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.75 105.32 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.06 -160.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -51.9 173.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -41.06 111.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.517 ' O ' HG12 ' A' ' 110' ' ' VAL . 14.5 tmtt? -173.56 132.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.8 125.4 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 108' ' ' LYS . 3.5 p -163.62 -43.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 m 55.07 170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.2 m -136.18 -65.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -137.0 177.93 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.41 165.6 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 128.98 14.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.05 176.28 31.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.29 6.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 p -165.29 168.56 16.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.5 p -174.85 170.03 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 111.043 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.6 161.17 41.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -98.21 -83.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.32 78.11 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -110.21 26.84 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -52.97 17.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' ILE . . . -89.44 -37.67 6.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 66' ' ' LEU . 6.7 mp -51.87 -62.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -40.89 -30.63 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -87.91 -41.14 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -66.43 -55.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 71' ' ' PHE . 57.4 t -41.17 -52.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.87 -47.69 51.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.3 tttp -61.84 -53.36 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.614 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.0 mmm -55.39 -33.13 63.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -62.13 -17.19 57.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.73 156.67 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -109.07 -15.07 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -68.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.4 p -92.19 -6.99 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.83 -166.21 42.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.1 178.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -149.54 91.61 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.07 137.51 21.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -133.19 158.08 76.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.05 139.11 23.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -116.9 -39.43 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.96 109.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -132.89 116.64 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.64 -68.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.54 -72.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.87 152.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -127.74 118.17 23.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.616 ' HB3' HG21 ' A' ' 37' ' ' THR . 23.6 m-85 -95.64 98.06 10.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -78.56 -68.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 59.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 101' ' ' THR . 15.3 p -145.06 148.53 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 100' ' ' TYR . 43.8 p90 -129.58 135.74 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 96' ' ' SER . 40.2 mt -52.3 152.87 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 100' ' ' TYR . . . -60.72 -36.33 91.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -70.38 -39.05 74.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -51.69 -40.46 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 43' ' ' LEU . 5.8 tp -67.98 -51.75 43.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.966 HG13 ' HB3' ' A' ' 59' ' ' ALA . 89.1 t -51.57 -63.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -50.42 -44.04 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.9 t90 -56.81 -67.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' TRP . 27.6 mt -38.11 -50.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 56' ' ' ARG . 44.3 mt -61.33 -57.51 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 t -54.71 -25.52 27.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 30.2 m -83.8 -9.12 59.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.1 t30 78.25 19.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 11' ' ' ILE . 14.6 m-85 -88.8 -21.73 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.42 154.65 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.88 -35.39 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -146.05 160.76 41.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.64 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -38.79 -35.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -60.37 -68.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -42.41 -41.49 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.966 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -64.4 -43.96 92.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.1 t -56.54 -41.48 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -43.25 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -62.98 -32.18 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.99 -57.94 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 p -51.34 -31.19 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.622 ' HB3' HD21 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.42 -52.82 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.1 mt -51.42 -49.0 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.835 ' CG ' HD12 ' A' ' 72' ' ' LEU . 22.7 mtm -53.85 -50.26 66.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -53.58 -47.3 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 8' ' ' LEU . 16.6 mm-40 -61.34 -12.37 13.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.641 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.0 t-20 84.22 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 17.7 m-85 -95.53 -26.31 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.19 172.06 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.05 155.97 32.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.98 143.82 29.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 76' ' ' GLY . 21.1 t -137.95 171.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.541 ' N ' HG12 ' A' ' 75' ' ' VAL . . . 90.5 -89.51 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER 177.82 -49.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 28.3 mmt180 -40.3 -30.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 80' ' ' MET . 4.5 t -111.36 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.746 ' HA ' HD11 ' A' ' 83' ' ' ILE . 0.5 OUTLIER 37.89 -159.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.37 -23.98 32.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.84 -76.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.2 mp 63.2 143.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -120.14 81.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -80.65 71.83 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.73 -53.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -83.52 -176.8 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.16 20.15 5.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.83 158.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.82 55.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -76.37 112.36 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 40.7 t80 -178.96 132.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.16 158.45 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.75 69.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 165.7 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.873 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.8 m -65.04 -44.22 89.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.422 ' CB ' ' HG3' ' A' ' 78' ' ' ARG . 21.4 p -52.39 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.93 118.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 39' ' ' LEU . 1.2 mt -109.47 161.18 15.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.682 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 79.4 m-85 -147.7 142.58 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.658 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.6 t -131.14 168.08 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -78.89 132.16 36.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -73.52 162.39 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.1 mm-40 -37.29 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.0 t -155.04 149.42 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 107' ' ' LYS . 10.9 p90 -93.93 175.7 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' O ' ' CD2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -41.27 153.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.95 136.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 161.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.7 t 63.35 80.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p 177.52 169.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 103.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -72.62 133.21 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -171.84 70.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.69 171.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.85 -123.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 140.2 25.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.0 p -100.86 87.35 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.75 167.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -164.09 154.69 15.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -151.13 173.03 14.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.78 -88.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -82.85 51.72 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 110.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -78.72 58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.44 -40.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 69' ' ' GLU . 75.9 mt -69.01 -55.0 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.735 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -51.27 -30.66 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' CD ' ' O ' ' A' ' 10' ' ' ARG . 2.2 tpp180 -65.88 -12.27 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 52' ' ' PHE . 7.6 mt -109.81 -35.46 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 66' ' ' LEU . 2.1 m -64.41 -41.65 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.37 -44.95 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -34.07 74.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -72.8 -29.74 63.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -61.98 -16.1 48.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' THR . 16.9 t0 -88.71 156.22 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.9 t -115.31 -10.24 12.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m -96.88 -44.44 7.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.2 p -119.05 12.41 12.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.45 -168.51 18.6 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.14 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.39 179.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -144.29 89.9 6.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 84.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 60.7 m -73.18 135.6 79.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 25' ' ' SER . 18.3 Cg_endo -75.0 64.4 6.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.67 88.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 32' ' ' SER . 63.7 mtp -42.84 120.74 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE2' HG11 ' A' ' 77' ' ' VAL . 1.1 tt0 -97.66 71.51 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.72 78.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.81 55.99 16.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 2.2 m -164.07 166.45 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 35' ' ' LYS . 2.2 m -148.84 -49.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 32' ' ' SER . 22.0 m-85 58.54 31.4 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' H ' HG22 ' A' ' 33' ' ' THR . 0.4 OUTLIER 61.87 -169.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 120.41 12.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.571 HG22 ' HB ' ' A' ' 101' ' ' THR . 35.3 p -145.55 158.83 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 40.3 p90 -125.12 130.49 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD23 HD21 ' A' ' 99' ' ' LEU . 23.2 mt -50.1 146.65 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.86 53.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -67.0 -38.39 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 tp -64.26 -60.72 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.787 HG13 ' HB3' ' A' ' 59' ' ' ALA . 79.5 t -44.67 -59.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.58 -51.52 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 88.7 t90 -50.99 -66.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.049 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 11' ' ' ILE . 15.3 mt -35.78 -53.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 56' ' ' ARG . 49.2 mt -55.68 -61.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t -52.81 -28.47 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 15.4 m -72.95 -14.87 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.5 t30 81.62 15.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.907 ' CD2' HG23 ' A' ' 11' ' ' ILE . 19.9 m-85 -88.88 -16.94 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.59 162.66 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.878 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.78 -34.33 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 162.49 38.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -39.56 -34.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.346 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -60.52 -69.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.878 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 26.6 mt-10 -41.24 -36.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.787 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -75.96 -44.92 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.3 t -51.7 -46.17 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -44.26 67.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.68 -40.99 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -62.41 -58.69 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -55.2 -29.52 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.731 ' HG2' HD21 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 12' ' ' VAL . 3.0 mt -70.35 -42.83 71.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.825 ' HG3' HD12 ' A' ' 72' ' ' LEU . 5.2 mtm -57.54 -37.8 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -47.44 77.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.914 ' HG3' HD12 ' A' ' 8' ' ' LEU . 35.1 mm-40 -60.57 -12.3 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.919 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 26.2 t30 85.72 25.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -88.49 -32.97 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -140.99 171.05 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.21 153.68 28.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 158.14 42.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.9 57.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 77' ' ' VAL . . . 46.74 -142.29 5.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 76' ' ' GLY . 10.9 m 47.05 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -37.73 -51.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.584 ' HA ' HD12 ' A' ' 93' ' ' LEU . 14.9 m -55.62 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.48 ' HA ' ' CG1' ' A' ' 83' ' ' ILE . 3.4 mtt 60.68 50.68 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.656 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -84.25 81.61 1.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 81.34 65.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 80' ' ' MET . 35.3 mm -92.72 113.77 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 86' ' ' GLY . 5.1 mpt_? -156.21 28.02 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.53 29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 84' ' ' ARG . . . -63.13 -108.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -112.97 173.73 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 65' ' ' MET . 0.7 OUTLIER -42.24 -60.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . 45.35 -168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' PHE . 9.4 mt-10 -124.16 42.49 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' HB3' ' A' ' 89' ' ' ALA . 5.4 pm0 -63.15 79.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 12.3 t80 -163.77 168.31 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 79' ' ' SER . 5.0 mt -136.24 169.76 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -133.36 70.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.26 167.64 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 39' ' ' LEU . 36.9 m -59.67 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' ALA . 3.0 p -39.62 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.19 138.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 mt -136.62 158.17 45.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 87.8 m-85 -159.78 135.76 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.8 t -113.54 -167.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.458 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.6 m-85 -101.06 130.46 47.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -76.34 175.13 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 10.8 mm-40 -41.68 -29.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' GLU . 0.6 OUTLIER 60.19 148.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -37.76 154.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.33 127.14 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.57 ' O ' HG12 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -177.47 124.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.66 115.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 108' ' ' LYS . 7.8 p -174.49 142.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -45.24 124.32 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 p -160.86 171.25 19.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.97 173.6 16.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 60.29 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.5 p 175.99 107.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.59 153.24 6.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m -120.9 -57.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.6 p -84.39 141.53 30.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 11' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 1.2 t60 -54.13 -54.47 39.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.01 -20.21 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 8' ' ' LEU . 97.0 mt -81.81 -43.68 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.629 HG21 ' CE2' ' A' ' 71' ' ' PHE . 75.4 t -62.92 -49.05 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -48.58 -41.44 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -52.22 57.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.619 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -56.95 -34.7 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.423 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-70 -60.19 -19.96 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -90.21 159.89 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -109.54 -24.5 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -72.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.3 p -90.44 -13.18 35.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.54 -166.85 30.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -74.32 179.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -151.24 91.46 3.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.439 1.757 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.534 ' HB ' HD22 ' A' ' 99' ' ' LEU . 9.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 46.5 p90 -123.14 139.6 53.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 96' ' ' SER . 25.0 mt -60.98 145.56 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.76 -44.54 48.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -63.78 -35.97 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -40.6 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 4.7 tp -72.0 -55.39 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' A' ' 59' ' ' ALA . 72.6 t -47.49 -60.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.76 -43.27 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.8 t90 -57.09 -66.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.6 mt -38.01 -47.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 56' ' ' ARG . 50.3 mt -65.38 -56.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 t -53.6 -27.94 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -78.07 -14.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.027 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.4 t-20 82.91 20.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 19.9 m-85 -91.6 -18.33 24.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.85 157.54 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -97.71 -35.6 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.6 t -141.3 160.88 39.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.832 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.9 -36.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.46 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.806 ' O ' HD12 ' A' ' 62' ' ' LEU . 30.8 mt-10 -42.15 -33.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.44 -44.54 24.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' ARG . 42.5 t -53.15 -45.0 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -43.09 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.43 -36.59 76.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.26 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -57.79 -26.16 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -40.27 74.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 12.5 mt -64.72 -46.07 83.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.856 ' HG3' HD12 ' A' ' 72' ' ' LEU . 10.8 mtm -54.51 -39.61 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.44 -12.29 9.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.573 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.4 t-20 85.9 32.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CE2' HG21 ' A' ' 12' ' ' VAL . 18.7 m-85 -99.64 -31.41 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.93 171.5 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.81 153.3 28.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 23.6 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.51 0.195 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.12 164.85 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -123.12 73.94 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.42 -169.53 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.731 ' O ' HD22 ' A' ' 39' ' ' LEU . 18.0 m -89.7 -43.63 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 p -53.17 -59.8 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.03 133.16 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.534 HD22 ' HB ' ' A' ' 37' ' ' THR . 1.5 mt -126.33 166.49 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 76.2 m-85 -161.6 147.88 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.568 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.7 t -132.15 163.84 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' PHE . 11.6 m-85 -75.18 136.34 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 11' ' ' ILE . 80.1 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 8.8 m170 -57.61 -48.51 79.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.8 -25.94 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 HD23 ' A' ' 8' ' ' LEU . 55.5 mt -76.54 -46.21 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 71' ' ' PHE . 95.3 t -58.04 -49.98 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.18 -46.15 54.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.33 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.605 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.4 mmm -55.54 -38.16 68.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.432 ' CD2' HG12 ' A' ' 12' ' ' VAL . 5.8 m-70 -58.1 -24.36 58.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.53 164.36 23.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -115.65 -35.51 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -62.94 -58.9 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.5 p -104.15 -19.62 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.93 -170.37 17.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.03 177.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -151.85 92.79 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.551 HG22 ' HB ' ' A' ' 101' ' ' THR . 19.4 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 34.2 p90 -126.72 134.55 50.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 96' ' ' SER . 28.6 mt -51.76 149.44 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.42 91.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.6 t -65.16 -38.05 89.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.9 -44.72 70.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.9 tp -66.26 -58.41 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.791 HG13 ' HB3' ' A' ' 59' ' ' ALA . 74.1 t -43.87 -65.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -48.18 -48.84 34.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.3 t90 -52.31 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD22 HD22 ' A' ' 62' ' ' LEU . 21.0 mt -39.12 -46.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.4 mt -62.17 -51.78 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' TRP . 13.7 t -60.76 -26.99 67.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 2.3 m -76.27 -0.83 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.944 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.63 20.11 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 11' ' ' ILE . 15.7 m-30 -92.5 -20.15 21.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.68 159.15 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.712 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.13 -34.15 9.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.37 161.77 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.835 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.22 -36.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.17 -67.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.788 ' O ' HD12 ' A' ' 62' ' ' LEU . 32.6 mt-10 -43.5 -33.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.791 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.64 -41.62 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 56' ' ' ARG . 34.1 t -55.82 -43.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -40.09 68.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.38 -36.51 80.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.65 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.75 -58.27 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -53.64 -29.91 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.402 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.18 -46.61 73.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.892 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 mt -59.5 -44.48 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.973 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.3 mtm -57.51 -41.57 81.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.51 93.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -63.65 -9.67 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-20 85.27 25.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.3 m-85 -95.48 -12.22 26.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.973 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -162.66 170.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.645 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 148.28 23.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE2' ' CZ ' ' A' ' 100' ' ' TYR . 25.9 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.1 mt -107.15 171.35 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -136.19 71.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.86 162.15 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' HD22 ' A' ' 39' ' ' LEU . 64.3 p -55.36 -56.78 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.4 p -37.21 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.46 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 3.6 mt -133.75 169.61 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CZ ' ' CE2' ' A' ' 92' ' ' PHE . 70.9 m-85 -166.06 142.38 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.645 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.1 t -126.66 178.63 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.5 m-85 -87.97 135.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 11' ' ' ILE . 22.3 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -56.13 18.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.57 -20.72 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 8' ' ' LEU . 52.3 mt -80.59 -44.32 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG21 ' CG ' ' A' ' 71' ' ' PHE . 66.2 t -63.2 -48.64 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -48.37 -51.12 27.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -56.44 -51.0 70.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.0 mtp -59.67 -23.53 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.11 -12.48 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -112.7 -5.37 13.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -88.38 0.7 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.07 -172.57 38.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.14 179.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -147.33 90.42 5.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.596 HG22 ' HB ' ' A' ' 101' ' ' THR . 12.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.424 ' C ' HD23 ' A' ' 99' ' ' LEU . 43.2 p90 -126.08 133.17 51.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 96' ' ' SER . 32.7 mt -45.85 159.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -72.81 -30.07 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -74.86 -37.2 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -47.73 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 4.9 tp -59.77 -57.29 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.964 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 46.1 t -45.14 -71.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.8 -48.19 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.5 t90 -52.92 -66.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 62' ' ' LEU . 14.4 mt -38.14 -53.0 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 56' ' ' ARG . 55.7 mt -57.75 -55.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -53.81 -34.71 60.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -75.6 -4.41 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.6 t30 73.01 20.55 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.5 m-30 -91.31 -17.47 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.51 153.2 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.17 -44.07 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 p -139.13 163.84 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.66 -31.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.13 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -43.93 -41.16 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.964 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -64.59 -42.33 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' ARG . 18.9 t -59.15 -42.33 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -44.83 64.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.49 -30.46 65.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.17 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -52.12 -28.18 16.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.32 -42.98 78.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.806 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -64.24 -48.49 75.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.917 ' CG ' HD12 ' A' ' 72' ' ' LEU . 13.3 mtm -53.4 -42.48 67.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -47.46 80.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 9.1 mm-40 -59.54 -12.8 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 86.16 33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.3 m-85 -101.03 -22.65 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.917 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -150.66 173.27 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -149.97 149.68 28.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.67 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 24.2 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.521 0.2 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.0 163.49 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.2 t70 -130.44 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.97 179.16 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.9 m -70.14 -46.71 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.3 p -49.97 -69.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -39.8 133.8 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.543 HD22 ' HB ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -130.79 160.1 35.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 92' ' ' PHE . 98.3 m-85 -154.31 137.08 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 37' ' ' THR . 12.4 t -117.56 165.27 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -77.57 135.49 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.623 ' HA ' HD12 ' A' ' 11' ' ' ILE . 97.9 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -61.05 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.52 -21.31 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.624 HG23 ' CD2' ' A' ' 52' ' ' PHE . 76.1 mt -78.51 -43.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 71' ' ' PHE . 35.1 t -65.06 -49.76 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -42.43 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.604 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.4 mmm -54.76 -30.91 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -64.63 -25.8 68.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.03 156.89 33.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -109.01 -11.67 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -97.57 -63.86 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 p -91.49 -5.6 53.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.66 -168.32 39.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.07 179.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -151.96 92.65 3.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.819 ' HB ' HD12 ' A' ' 99' ' ' LEU . 10.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 38.8 p90 -127.85 128.32 45.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 96' ' ' SER . 10.5 mt -40.36 150.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.99 -33.2 83.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -71.73 -34.47 69.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -56.58 -50.52 71.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.4 tp -57.83 -47.78 81.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -53.5 -68.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.41 -34.8 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.8 t90 -64.67 -64.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -39.76 -50.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.7 mt -58.99 -57.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -54.12 -28.75 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.68 5.04 19.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.78 21.94 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.624 ' CD2' HG23 ' A' ' 11' ' ' ILE . 14.8 m-30 -93.23 -15.29 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.86 158.29 44.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.75 -36.73 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 158.94 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.774 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -38.53 -37.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.03 -67.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -42.38 -42.74 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.854 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -63.94 -42.49 97.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.5 t -60.1 -40.58 83.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -40.81 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.586 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -61.41 -28.56 69.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -67.98 -60.46 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -52.26 -33.66 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -37.16 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.6 mt -72.27 -44.83 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.912 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.7 mtm -58.39 -36.44 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -45.85 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.81 -11.51 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.845 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 2.1 t-20 86.23 24.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -89.61 -29.32 18.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.912 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.18 173.2 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.555 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.29 155.47 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 34.6 t80 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.515 0.197 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mt -132.18 171.16 14.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -133.74 68.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -169.99 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.415 ' CB ' HD13 ' A' ' 39' ' ' LEU . 23.9 m -102.35 15.97 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -118.68 -36.17 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.51 84.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.0 mm? -72.36 168.94 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 69.7 m-85 -164.79 137.68 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.555 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.8 t -126.95 163.37 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.98 132.96 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.429 ' HB3' HD23 ' A' ' 66' ' ' LEU . 77.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -50.24 -26.67 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 1.1 tpp180 -84.71 -38.99 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 HD23 ' A' ' 62' ' ' LEU . 3.1 mt -64.11 -51.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.659 HG12 ' CD2' ' A' ' 16' ' ' HIS . 53.1 t -55.1 -49.72 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -40.4 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -84.81 -53.09 5.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 mtm -58.43 -21.52 51.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.659 ' CD2' HG12 ' A' ' 12' ' ' VAL . 1.5 m-70 -71.38 -17.52 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -90.96 159.77 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 t -118.87 -0.25 11.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.4 m -102.45 -46.58 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 p -117.56 4.43 12.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.62 -161.27 26.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tt -72.49 178.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -145.09 90.37 6.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.869 HG22 ' HB ' ' A' ' 101' ' ' THR . 10.8 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 30.1 p90 -124.58 148.09 48.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.8 HD22 ' O ' ' A' ' 96' ' ' SER . 36.3 mt -64.33 152.0 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.56 -29.76 74.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -76.22 -32.28 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -57.89 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 43' ' ' LEU . 6.7 tp -51.75 -49.12 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.958 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 11.8 t -54.43 -77.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 44' ' ' VAL . 12.0 t0 -40.38 -39.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 15' ' ' MET . 82.1 t90 -61.18 -67.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.038 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD23 ' HD2' ' A' ' 52' ' ' PHE . 22.4 mt -39.18 -47.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.9 mt -61.36 -61.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 t -52.74 -31.71 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.9 t -73.88 -14.87 61.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' SER . 51.2 t30 83.64 18.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.0 m-30 -93.35 -14.88 26.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.35 152.86 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.92 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 172.61 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.749 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.7 mmt180 -48.32 -34.0 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.47 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.3 -42.34 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.958 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.87 -42.27 97.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 56' ' ' ARG . 39.5 t -59.96 -41.45 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -42.28 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.586 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.26 -28.79 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.94 -57.19 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -53.66 -23.85 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -47.45 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.861 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.9 mt -58.94 -42.75 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.869 ' HG3' HD12 ' A' ' 72' ' ' LEU . 12.9 mtm -58.22 -37.41 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -45.96 81.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.3 mm-40 -62.08 -11.67 15.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-20 85.96 29.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.8 m-85 -95.74 -26.87 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.869 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.92 167.39 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.593 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 150.45 28.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.705 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 30.9 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 11.2 mt -111.29 166.95 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.638 ' OD1' HG11 ' A' ' 44' ' ' VAL . 7.3 t70 -128.97 69.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.0 177.71 8.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.8 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.36 -24.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ALA . 46.2 p -69.84 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 93' ' ' LEU . . . -40.28 133.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 5.7 mt -129.78 168.09 17.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.705 ' CE2' ' CE2' ' A' ' 92' ' ' PHE . 99.3 m-85 -163.48 168.21 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.869 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.2 t -152.3 164.13 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -80.44 134.87 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 11' ' ' ILE . 79.4 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -57.21 -45.24 84.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.78 -21.18 66.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 52' ' ' PHE . 89.9 mt -82.12 -41.63 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG12 ' CD2' ' A' ' 16' ' ' HIS . 96.1 t -60.67 -43.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.33 -52.56 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 tttt -55.7 -50.8 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.9 mmm -54.66 -41.71 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.687 ' CD2' HG12 ' A' ' 12' ' ' VAL . 42.2 m-70 -53.97 -33.21 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.04 165.22 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -115.17 -31.85 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -73.48 -58.28 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 p -98.14 -14.26 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -79.3 -171.52 41.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.78 -178.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -153.05 92.31 3.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 101' ' ' THR . 24.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 39.8 p90 -123.6 141.09 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' O ' ' A' ' 96' ' ' SER . 24.3 mt -62.64 148.09 47.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.68 -36.57 65.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -67.86 -36.77 80.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -48.83 80.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -60.58 -53.85 52.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 59' ' ' ALA . 30.2 t -47.11 -70.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.97 -46.47 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 90.3 t90 -54.09 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -43.42 -53.92 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.736 HD11 ' HA ' ' A' ' 56' ' ' ARG . 65.0 mt -56.1 -59.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -53.92 -27.28 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -82.95 7.84 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.13 18.26 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' HD2' HD23 ' A' ' 47' ' ' LEU . 17.2 m-30 -90.53 -16.99 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.79 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.04 -37.46 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.63 161.11 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 48' ' ' ILE . 2.2 mpt_? -39.52 -38.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.494 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -57.98 -66.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -40.79 -45.28 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.78 -44.53 96.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 94' ' ' ASP . 30.9 t -58.39 -40.19 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -41.11 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -64.14 -34.5 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.15 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.82 -46.42 41.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -50.81 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.845 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.8 mt -55.07 -48.41 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.886 ' HG3' HD12 ' A' ' 72' ' ' LEU . 14.2 mtm -53.82 -37.78 63.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -42.49 92.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.621 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mt-10 -68.28 -5.7 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.0 OUTLIER 81.16 20.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -86.61 -16.59 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -159.15 173.15 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.591 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.09 156.41 32.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.7 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.496 0.188 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -93.25 176.82 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.507 ' HB2' HG22 ' A' ' 60' ' ' VAL . 7.1 t70 -134.98 71.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.74 169.12 18.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.595 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.0 p -63.09 -56.59 15.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.6 p -43.59 -68.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -39.89 109.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.484 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.1 mt -101.53 165.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 95.6 m-85 -161.07 137.82 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.5 t -122.97 176.29 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.441 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 20.8 m-85 -82.6 133.95 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 12' ' ' VAL . 71.7 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 1.8 t60 -61.08 -55.93 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.99 -22.51 64.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 94.6 mt -79.27 -42.04 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 8' ' ' LEU . 65.1 t -62.32 -42.42 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -55.37 -52.99 61.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -55.22 26.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.1 mtp -49.36 -49.02 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -45.34 -35.47 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD2' ' N ' ' A' ' 19' ' ' SER . 10.5 t70 -69.8 163.87 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.88 -28.07 7.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -68.75 -63.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -101.13 -16.64 16.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.1 -159.75 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.31 155.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -126.0 88.95 53.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.814 ' HB ' HD11 ' A' ' 99' ' ' LEU . 2.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 99' ' ' LEU . 18.1 p90 -130.97 124.36 30.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.609 HD23 HD13 ' A' ' 99' ' ' LEU . 18.4 mt -43.51 157.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -27.36 69.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -74.1 -40.21 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -46.46 75.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' A' ' 47' ' ' LEU . 4.8 tp -61.99 -59.07 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.946 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 28.0 t -44.08 -72.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -41.91 -54.44 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.594 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 85.4 t90 -46.81 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' TRP . 24.9 mt -35.62 -56.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.4 mt -55.18 -53.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -55.95 -33.99 65.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.055 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 2.5 m -78.28 -7.33 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' SER . 41.2 t30 77.1 20.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 13.2 m-85 -88.8 -19.28 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.91 152.72 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.92 -42.07 12.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -138.49 165.62 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.0 mpt_? -43.93 -34.93 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.32 -64.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -43.45 -42.48 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.946 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.67 -42.83 98.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 56' ' ' ARG . 32.0 t -59.19 -38.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -41.0 62.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -29.03 70.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.08 -58.9 3.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 p -51.57 -31.11 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.404 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -66.37 -42.44 87.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.9 mt -66.64 -47.82 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.837 ' HG3' HD12 ' A' ' 72' ' ' LEU . 23.6 mtm -54.81 -40.24 69.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.62 82.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mm-40 -62.55 -10.51 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-20 83.86 36.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.0 m-85 -103.54 -23.1 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.837 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.67 173.58 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.11 155.74 34.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 29.9 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.521 0.201 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.503 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.26 159.24 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 94' ' ' ASP . 3.6 t0 -116.92 75.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.25 177.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.433 ' O ' HD22 ' A' ' 39' ' ' LEU . 6.3 p -74.96 -51.38 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.3 p -48.54 -59.68 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 113.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.814 HD11 ' HB ' ' A' ' 37' ' ' THR . 42.6 tp -115.14 155.0 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.3 m-85 -143.08 141.79 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.744 ' HB ' HG22 ' A' ' 37' ' ' THR . 10.2 t -122.33 176.3 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.06 132.15 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 HD12 ' A' ' 11' ' ' ILE . 88.7 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.33 74.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.91 -22.58 59.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.544 HD12 HD23 ' A' ' 8' ' ' LEU . 79.6 mt -79.7 -44.87 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG12 ' CD2' ' A' ' 16' ' ' HIS . 74.1 t -59.26 -49.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.55 -45.34 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.626 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.6 mmm -58.88 -26.91 64.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.819 ' CD2' HG12 ' A' ' 12' ' ' VAL . 43.4 m-70 -70.43 -7.91 46.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.31 160.6 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -111.88 -26.92 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -63.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -103.22 -13.73 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.73 -179.55 52.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -152.55 92.16 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.417 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 101' ' ' THR . 16.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -126.86 130.94 51.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 96' ' ' SER . 36.6 mt -43.16 157.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.38 -37.15 90.17 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -71.47 -37.2 71.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -46.88 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 38' ' ' PHE . 2.8 tp -61.93 -59.91 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 59' ' ' ALA . 85.7 t -43.04 -66.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -47.64 -46.77 29.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.2 t90 -55.43 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.697 HD22 HD22 ' A' ' 62' ' ' LEU . 15.7 mt -38.01 -38.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 70.5 mt -70.15 -54.43 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' TRP . 22.7 t -58.74 -30.03 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 3.1 m -70.23 -14.56 62.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' SER . 29.8 t30 81.81 18.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 22.8 m-30 -91.68 -22.71 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.69 160.58 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -103.92 -34.39 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.2 t -140.06 158.92 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -38.62 -34.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.06 -68.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.734 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.63 -31.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -80.69 -44.0 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.3 t -54.08 -43.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -40.0 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.56 -35.47 76.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.39 -58.65 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -51.92 -29.84 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -50.13 55.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -57.95 -45.66 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.931 ' CG ' HD12 ' A' ' 72' ' ' LEU . 17.3 mtm -56.11 -42.61 77.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -41.93 96.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.2 mm-40 -64.96 -8.08 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.94 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.1 t-20 83.54 20.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 21.5 m-85 -89.39 -14.2 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.931 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -161.52 173.21 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.91 149.58 23.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.833 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 27.5 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.502 0.191 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -95.9 176.97 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.18 71.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.92 166.02 25.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HD22 ' A' ' 39' ' ' LEU . 15.4 m -66.08 -49.82 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 98' ' ' ALA . 1.9 p -46.64 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -40.33 134.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -127.68 164.74 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.6 m-85 -151.13 139.06 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.644 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.7 t -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.45 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 17.6 m-85 -86.07 134.82 33.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD22 HD23 ' A' ' 66' ' ' LEU . 8.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -51.0 60.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -63.64 -22.05 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 8' ' ' LEU . 53.4 mt -79.73 -43.73 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 16' ' ' HIS . 73.3 t -61.56 -46.38 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -52.52 -48.75 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -48.87 78.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.5 mtp -62.59 -30.98 71.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' CD2' HG12 ' A' ' 12' ' ' VAL . 5.3 m-70 -61.08 -19.45 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -90.86 155.57 18.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -109.0 -15.8 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -72.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -93.0 -11.4 33.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.46 -154.03 8.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.44 1.087 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.83 -179.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -150.44 92.27 4.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.964 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.595 ' HB ' HD12 ' A' ' 99' ' ' LEU . 3.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 46.5 p90 -106.25 129.56 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 99' ' ' LEU . 15.1 mt -49.29 144.85 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -57.44 -38.58 87.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -43.61 77.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.0 -56.73 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' A' ' 59' ' ' ALA . 87.4 t -47.6 -61.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.5 -43.11 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 91.6 t90 -59.67 -67.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 62' ' ' LEU . 18.5 mt -37.35 -47.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.0 mt -62.15 -58.51 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -53.62 -30.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.2 m -73.66 -13.16 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.7 t30 81.5 20.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -90.52 -23.6 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.66 158.52 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.796 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -99.31 -34.77 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' ARG . 3.2 t -141.81 159.35 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.46 -33.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -62.54 -69.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.85 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.1 mt-10 -41.38 -33.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.07 -45.35 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 56' ' ' ARG . 29.9 t -52.5 -45.58 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.74 69.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.09 -41.23 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.606 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -63.57 -58.24 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 p -52.63 -36.32 56.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 2.0 mtm -60.13 -52.92 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.826 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.6 mt -49.98 -46.55 52.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 72' ' ' LEU . 15.6 mtm -55.44 -41.23 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.68 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 71' ' ' PHE . 14.8 mp0 -58.53 -14.89 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t30 88.37 39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' A' ' 69' ' ' GLU . 21.5 m-85 -100.39 -21.26 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.22 174.24 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.569 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.86 156.88 33.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.511 1.796 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 46.9 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.466 0.174 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 2.8 mt -116.86 166.69 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 7.4 t70 -130.54 71.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.05 -172.7 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.405 ' HB2' HD13 ' A' ' 39' ' ' LEU . 79.5 p -97.76 16.91 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 p -119.42 -39.33 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -68.04 84.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 39' ' ' LEU . 3.9 mm? -74.26 171.63 13.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 60.3 m-85 -165.67 140.44 4.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.569 HG23 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -126.56 165.94 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -79.42 135.08 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.05 -37.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.402 ' CD ' ' C ' ' A' ' 10' ' ' ARG . 2.0 tpp180 -71.38 -46.23 60.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 52' ' ' PHE . 6.2 mt -59.33 -50.26 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 16' ' ' HIS . 65.0 t -50.61 -51.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.8 -36.65 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -51.09 20.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.608 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 2.6 mmm -60.04 -28.67 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.588 ' CD2' HG12 ' A' ' 12' ' ' VAL . 1.8 m-70 -66.04 -18.63 65.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 18' ' ' THR . 8.5 t0 -92.1 160.7 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 13.7 t -110.86 -18.65 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -76.57 -69.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -97.52 -3.31 40.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.68 -167.64 43.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.44 179.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -149.06 91.14 4.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 101' ' ' THR . 21.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 45.9 p90 -132.5 133.49 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 99' ' ' LEU . 23.9 mt -50.36 150.91 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.18 -41.31 96.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -65.9 -38.63 89.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -51.66 -47.31 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.2 tp -62.1 -58.25 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.97 HG13 ' HB3' ' A' ' 59' ' ' ALA . 88.4 t -46.18 -61.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.45 -49.35 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.608 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.5 t90 -54.78 -65.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 107.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' TRP . 12.1 mt -38.6 -48.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 56' ' ' ARG . 58.2 mt -62.99 -57.26 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.8 t -53.62 -28.88 35.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 68.6 m -76.47 -12.8 60.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.4 t30 81.07 19.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.0 m-85 -89.56 -21.86 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.32 160.62 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.963 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.37 -35.07 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.58 156.36 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.946 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.26 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -65.0 -67.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.963 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 24.1 mt-10 -42.37 -39.91 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.97 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.7 -45.85 67.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.7 t -53.07 -46.02 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -42.61 88.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -61.71 -37.77 85.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.934 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -60.92 -60.85 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -49.4 -41.18 38.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -48.36 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.838 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 mt -60.01 -45.97 91.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 72' ' ' LEU . 18.2 mtm -57.09 -40.89 77.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -44.68 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.4 mm-40 -61.78 -11.38 12.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.887 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 8.1 t-20 86.75 23.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -91.32 -20.06 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -155.05 174.05 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.12 152.36 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.934 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 31.7 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.26 167.07 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.9 66.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.26 165.55 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 39' ' ' LEU . 75.5 m -61.17 -58.36 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 97' ' ' THR . 80.6 p -38.74 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.37 129.57 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -120.2 172.31 7.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 94.7 m-85 -163.39 139.85 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.621 HG22 ' HG2' ' A' ' 73' ' ' ARG . 13.6 t -122.57 174.25 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.3 m-85 -84.4 134.91 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 12' ' ' VAL . 75.6 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -68.15 -55.98 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.633 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -64.19 -21.19 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CD2' ' A' ' 62' ' ' LEU . 96.8 mt -79.27 -40.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 71' ' ' PHE . 43.4 t -64.71 -36.82 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.44 -47.36 82.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.2 mtp -62.23 -32.97 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CD2' HG12 ' A' ' 12' ' ' VAL . 9.0 m-70 -60.19 -21.59 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -87.55 168.72 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -119.93 -37.92 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 m -59.34 -52.92 63.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.7 p -110.51 -19.74 12.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.57 -155.81 1.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -86.93 176.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -149.06 91.84 4.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 101' ' ' THR . 28.1 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.663 ' HE2' HD22 ' A' ' 43' ' ' LEU . 6.8 p90 -133.98 133.68 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 96' ' ' SER . 26.5 mt -52.54 151.32 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.35 82.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -70.74 -36.27 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -37.72 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 38' ' ' PHE . 9.1 tp -72.69 -54.61 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.875 HG13 ' HB3' ' A' ' 59' ' ' ALA . 44.9 t -48.11 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.16 -44.1 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.596 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.3 t90 -57.89 -67.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 62' ' ' LEU . 18.7 mt -37.76 -47.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.5 mt -59.86 -53.16 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' TRP . 16.8 t -60.71 -30.86 70.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -69.79 -15.04 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.0 t30 81.86 18.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.688 ' HD2' HD23 ' A' ' 47' ' ' LEU . 22.8 m-30 -91.44 -23.09 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.64 160.0 35.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.75 -34.02 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' ARG . 4.3 t -141.6 158.77 43.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.974 ' O ' HG23 ' A' ' 60' ' ' VAL . 6.1 mpt_? -38.58 -34.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.14 -67.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.7 mt-10 -43.18 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.875 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -77.95 -45.43 23.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 56' ' ' ARG . 53.5 t -52.48 -44.21 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -41.38 72.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -56.85 -38.38 72.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -62.77 -59.8 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 p -53.74 -33.39 55.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.58 -44.37 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.8 mt -62.37 -43.41 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.735 ' HG3' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -57.95 -38.55 76.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.85 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 2.8 mm-40 -63.84 -10.99 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.608 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 2.3 t30 83.78 36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 12' ' ' VAL . 22.8 m-85 -97.71 -26.29 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.47 174.62 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.9 157.28 32.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.456 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 37.5 t80 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.476 0.179 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 8.1 mt -129.85 176.34 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -139.46 68.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.72 -165.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.706 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.1 m -99.93 -20.46 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -79.41 -36.92 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 120.72 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.513 ' CD2' HD23 ' A' ' 39' ' ' LEU . 11.9 mt -109.25 158.32 17.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 92' ' ' PHE . 91.4 m-85 -156.62 137.64 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.613 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -124.24 174.24 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 38.2 m-85 -83.48 133.9 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 69' ' ' GLU . 50.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -47.05 -29.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -82.28 -44.3 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' SD ' ' A' ' 15' ' ' MET . 22.6 mt -64.06 -56.89 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG22 HD22 ' A' ' 66' ' ' LEU . 82.3 t -43.74 -56.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.0 -47.19 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -63.01 -55.22 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 11' ' ' ILE . 29.3 mtp -54.01 -25.34 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.3 m-70 -70.01 -17.19 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.569 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.95 160.98 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -112.11 -9.15 13.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.438 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -84.43 -81.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.1 p -87.99 -12.29 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.03 -150.51 6.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -87.52 157.28 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -128.62 89.18 50.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.652 HG22 ' HB ' ' A' ' 101' ' ' THR . 25.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 37.0 p90 -133.75 135.71 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 96' ' ' SER . 30.0 mt -53.8 158.17 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.665 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -69.87 -32.16 70.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -35.02 67.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -51.75 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.812 ' C ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.06 -62.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.886 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -37.21 -60.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 48' ' ' ILE . 19.9 t0 -53.18 -49.66 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 74.7 t90 -50.97 -60.51 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 11' ' ' ILE . 6.6 mt -39.28 -42.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.834 HD11 ' HA ' ' A' ' 56' ' ' ARG . 21.4 mt -67.23 -61.27 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -53.27 -25.82 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.589 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.5 t -75.05 -13.94 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.3 t-20 82.17 18.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -97.27 -13.57 21.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 154.04 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.03 -29.85 16.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 167.96 28.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -43.69 -31.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.322 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.84 -68.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -39.63 -44.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.85 -47.09 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' ARG . 20.7 t -54.15 -37.23 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -41.42 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.34 -36.24 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -66.55 -57.95 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -53.94 -32.32 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -39.17 93.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 mt -67.11 -44.37 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.956 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.6 mtm -57.52 -37.73 73.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -46.48 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mm-40 -61.42 -12.08 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.766 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 44.4 t30 86.86 28.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -94.83 -21.2 18.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.956 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.46 171.02 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.606 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.18 153.28 29.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 27.2 t80 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.503 0.192 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -136.38 168.31 19.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -137.93 76.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.82 -170.92 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.958 ' O ' HD22 ' A' ' 39' ' ' LEU . 4.0 m -92.4 -36.81 12.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -65.47 -27.82 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.8 117.3 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 1.4 mt -106.65 173.75 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 70.0 m-85 -165.09 141.73 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.652 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.7 t -129.47 163.16 26.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.35 131.23 36.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.962 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.8 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -74.4 -45.09 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.636 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.13 -24.89 65.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 110.275 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 15' ' ' MET . 85.7 mt -79.18 -46.8 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 8' ' ' LEU . 90.1 t -60.31 -49.83 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.35 -44.69 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.668 ' HE1' HD13 ' A' ' 66' ' ' LEU . 33.8 mtp -61.36 -19.31 61.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.87 -10.94 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -101.03 164.21 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -113.09 -30.99 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -68.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -101.14 -21.22 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.94 -152.69 1.46 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tp -84.49 162.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -132.4 88.39 39.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 ' HB ' ' A' ' 101' ' ' THR . 1.8 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 41.7 p90 -115.85 135.22 54.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 96' ' ' SER . 22.1 mt -55.01 145.47 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.74 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -58.15 -33.98 71.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -28.14 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -52.73 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.816 ' C ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -64.74 -58.96 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.846 HG13 ' HB3' ' A' ' 59' ' ' ALA . 54.8 t -39.17 -55.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.681 ' HA ' HD12 ' A' ' 48' ' ' ILE . 16.9 t0 -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 76.0 t90 -52.54 -59.27 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' A' ' 43' ' ' LEU . 7.2 mt -40.42 -44.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 56' ' ' ARG . 36.2 mt -62.8 -61.16 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -53.32 -27.25 22.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.7 m -74.7 -14.37 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' SER . 3.8 t-20 81.26 19.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 21.7 m-85 -96.93 -13.76 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.88 156.39 48.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.6 -42.95 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.2 p -142.11 162.99 34.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -38.72 -35.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.37 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -42.45 -45.45 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.51 -45.18 95.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 31.0 t -56.63 -37.98 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -40.04 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.547 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.79 -35.87 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.23 -58.83 5.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -52.03 -35.3 46.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -38.98 93.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.2 mt -68.32 -46.57 69.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 72' ' ' LEU . 4.5 mtm -54.03 -36.14 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -47.55 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.2 mm-40 -61.56 -12.21 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 84.9 38.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.693 ' CG ' HG21 ' A' ' 12' ' ' VAL . 19.6 m-85 -104.33 -26.45 12.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.25 169.45 18.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -137.95 155.34 74.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.548 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.6 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.492 0.187 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -93.94 161.4 14.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 2.1 t70 -123.2 77.78 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.85 -174.76 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.839 ' O ' HD22 ' A' ' 39' ' ' LEU . 14.9 m -83.61 -36.75 23.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.933 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 17.3 p -62.72 -68.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.08 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.653 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.8 mt -99.4 139.03 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 92' ' ' PHE . 69.8 m-85 -128.85 141.95 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.729 ' HB ' HG22 ' A' ' 37' ' ' THR . 13.6 t -124.71 173.6 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 10.5 m-85 -88.9 128.62 35.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 12' ' ' VAL . 90.3 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.16 -31.01 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.566 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.99 -40.61 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.901 HG22 ' SD ' ' A' ' 15' ' ' MET . 8.0 mt -65.07 -55.88 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 8' ' ' LEU . 61.3 t -41.82 -55.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -45.84 -53.03 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -50.87 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.901 ' SD ' HG22 ' A' ' 11' ' ' ILE . 21.5 mtp -57.92 -38.16 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.4 m-70 -55.12 -20.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.04 161.32 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -111.36 -24.41 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 -66.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 p -92.07 -5.85 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.37 -164.27 38.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.043 HG23 ' HD3' ' A' ' 24' ' ' PRO . 1.9 tt -73.95 177.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 71.23 71.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.043 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 100' ' ' TYR . 54.6 p90 -114.35 132.68 56.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 96' ' ' SER . 20.6 mt -53.79 158.1 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.9 -32.44 77.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -34.34 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -47.84 83.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 8.3 tp -60.19 -50.59 73.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 38.1 t -51.05 -73.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.21 -42.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.7 t90 -61.53 -67.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.3 mt -37.79 -47.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.8 mt -63.54 -57.31 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -54.2 -28.63 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 67.4 m -79.29 -13.27 59.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 24.3 t-20 81.13 21.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -91.24 -21.43 21.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.81 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.89 -37.29 9.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.9 159.05 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.85 -34.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.69 -67.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -41.34 -44.28 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.834 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -62.62 -44.2 96.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 56' ' ' ARG . 37.8 t -57.94 -40.45 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.56 -41.89 65.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.65 -29.61 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.89 -59.04 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 p -54.11 -34.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.7 -36.97 82.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.0 mt -69.58 -49.21 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.967 ' HG3' HD12 ' A' ' 72' ' ' LEU . 17.4 mtm -54.31 -40.37 67.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -48.47 73.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.6 mm-40 -60.62 -12.61 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 85.83 41.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -108.56 -23.79 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.967 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.4 172.87 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.56 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.85 155.05 32.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.444 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 43.8 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.501 0.191 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.48 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 9.4 mt -126.32 164.03 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -129.07 65.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.04 -175.24 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.779 ' O ' HD22 ' A' ' 39' ' ' LEU . 72.4 m -72.79 -35.42 67.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 76.0 p -84.73 73.81 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -175.98 75.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 39' ' ' LEU . 2.0 mm? -68.82 166.17 18.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 44.2 m-85 -168.42 138.44 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.56 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.9 t -129.31 163.68 25.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -77.91 129.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 12' ' ' VAL . 82.4 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -72.62 -52.18 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.638 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.48 -29.4 70.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.553 HG22 ' SD ' ' A' ' 15' ' ' MET . 94.4 mt -73.61 -50.47 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 8' ' ' LEU . 85.5 t -56.74 -46.5 83.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.58 -47.88 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -60.33 -42.73 96.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 34.3 mtp -67.78 -26.55 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.58 -12.68 55.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.98 167.09 11.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -113.95 -30.03 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -66.37 -69.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -100.61 4.63 43.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.39 170.73 19.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 43' ' ' LEU . 3.1 tp -40.23 156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -130.25 88.77 46.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.884 ' HB ' HD22 ' A' ' 99' ' ' LEU . 2.3 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 26.2 p90 -121.84 130.09 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 96' ' ' SER . 21.0 mt -44.35 157.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.04 63.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -36.07 76.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.16 94.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.45 -70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 59' ' ' ALA . 2.6 t -31.9 -66.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 t0 -41.94 -56.74 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 86.9 t90 -46.85 -62.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.02 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 43' ' ' LEU . 7.7 mt -39.75 -42.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 56' ' ' ARG . 30.7 mt -68.1 -58.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -52.56 -30.47 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 24.4 m -72.9 -13.26 61.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' SER . 49.6 t30 80.06 20.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 20.7 m-85 -94.63 -15.98 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.22 49.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.84 -31.7 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.9 165.61 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.7 mpt_? -41.67 -33.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.21 -69.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 61' ' ' THR . 7.5 mm-40 -39.12 -45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.33 -48.61 80.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.7 t -51.66 -38.35 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -77.27 -40.91 42.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.56 -32.23 73.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -69.1 -58.69 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 p -54.93 -31.34 60.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.16 86.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.7 mt -68.68 -50.21 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.797 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.0 mtm -50.08 -35.94 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -45.44 65.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.3 mm-40 -61.26 -11.99 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 21.7 t30 86.93 31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.857 ' CG ' HG21 ' A' ' 12' ' ' VAL . 18.6 m-85 -98.24 -31.78 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.52 170.98 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.664 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.71 149.88 23.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 50.4 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.533 0.206 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -112.86 163.29 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.7 69.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.43 176.19 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.715 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.9 m -69.39 -46.45 66.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 98' ' ' ALA . 33.5 p -53.21 -71.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -38.83 126.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -121.62 167.15 13.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.442 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 72.8 m-85 -159.92 143.8 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.664 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.1 t -124.6 -172.38 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -103.35 132.4 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 11' ' ' ILE . 85.6 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -44.08 69.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.1 -23.76 66.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 8' ' ' LEU . 70.1 mt -77.82 -43.04 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 71' ' ' PHE . 77.6 t -64.03 -43.12 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -55.75 -44.32 77.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -61.65 -43.16 99.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.598 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -66.73 -30.52 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -61.23 -19.13 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.654 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -89.7 165.75 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -112.65 -40.77 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 m -60.09 -67.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.6 p -90.71 -24.36 20.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -67.91 -163.53 2.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.82 178.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -153.34 92.54 3.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.018 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.721 ' HB ' HD12 ' A' ' 99' ' ' LEU . 15.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -127.55 128.24 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PHE . 20.6 mt -39.92 144.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.39 -36.42 91.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -67.98 -42.03 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -50.36 -44.03 54.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.3 tp -64.55 -54.69 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' A' ' 59' ' ' ALA . 63.2 t -47.5 -67.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.0 t0 -47.43 -46.55 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.1 t90 -53.43 -64.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.737 HD13 ' CB ' ' A' ' 62' ' ' LEU . 32.4 mt -41.64 -52.24 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 87.8 mt -47.7 -66.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -56.7 -28.77 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -62.84 -13.77 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.1 t30 80.74 10.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 5.2 m-30 -92.1 -16.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.2 159.1 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' OE1' ' A' ' 58' ' ' GLU . . . -104.61 -31.77 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 162.67 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.9 mtp180 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -56.2 -70.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.858 ' OE1' ' HB3' ' A' ' 54' ' ' ALA . 15.1 mt-10 -43.39 -38.08 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.53 -49.88 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 56' ' ' ARG . 4.3 t -42.11 -48.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -65.72 -48.69 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.737 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.1 mm? -45.47 -33.36 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.692 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -72.04 -57.61 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -55.08 -28.99 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.34 -42.95 78.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.914 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.0 mt -68.38 -44.03 76.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.855 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.3 mtm -58.8 -38.15 77.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.32 74.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 73.1 mm-40 -63.46 -10.09 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.2 t30 84.3 34.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.713 ' O ' HD23 ' A' ' 72' ' ' LEU . 20.4 m-85 -103.34 -6.13 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -168.73 165.03 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG3' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -147.2 153.81 45.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.692 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 39.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.501 0.191 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 5.6 mt -117.74 -177.17 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.67 71.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.58 -179.31 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.8 p -93.39 21.25 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.513 ' O ' HD23 ' A' ' 99' ' ' LEU . 23.7 p -125.46 -44.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 100' ' ' TYR . . . -59.9 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.721 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.2 mm? -72.86 166.63 22.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 86.4 m-85 -162.22 136.95 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.558 HG23 ' CD ' ' A' ' 73' ' ' ARG . 14.5 t -119.5 178.37 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -88.21 136.13 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.4 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.95 -46.66 83.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -66.15 -23.17 66.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 HG23 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mt -80.35 -45.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 8' ' ' LEU . 56.9 t -56.18 -50.34 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -50.87 -47.85 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.97 -48.09 82.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.2 mtp -63.09 -29.96 71.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -63.47 -21.31 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -83.46 170.79 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -117.13 -39.03 3.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -90.43 -24.85 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.47 -173.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 1.2 tt -70.23 -178.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -153.75 94.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.493 ' HB ' HD22 ' A' ' 99' ' ' LEU . 4.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 28.2 p90 -129.29 135.48 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.2 mt -48.05 147.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -60.94 -26.03 64.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -80.36 -38.17 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.746 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -54.1 -43.56 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -68.06 -56.55 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.86 HG13 ' HB3' ' A' ' 59' ' ' ALA . 77.0 t -47.03 -64.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.74 -45.55 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 92.2 t90 -56.44 -67.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 62' ' ' LEU . 13.1 mt -37.62 -45.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.1 mt -62.6 -55.54 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -57.5 -30.83 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.1 m -72.62 -13.56 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' SER . 38.9 t30 80.73 18.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 15.9 m-85 -88.5 -25.15 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.61 159.39 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.815 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.8 -31.12 10.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' LEU . 6.8 t -144.03 157.89 44.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -38.5 -32.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -68.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.815 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.02 -31.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.5 -44.96 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.6 t -53.24 -44.26 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -43.58 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -55.22 -38.39 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -65.38 -57.75 7.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -53.07 -31.76 43.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.944 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.465 ' HB3' HD11 ' A' ' 8' ' ' LEU . 1.3 mtm -65.56 -45.82 81.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.729 ' CB ' HD21 ' A' ' 72' ' ' LEU . 5.4 mt -60.33 -46.06 91.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.885 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -56.58 -43.34 79.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -47.55 85.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.5 mm-40 -61.98 -12.21 17.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 31.9 t30 85.16 36.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.2 m-85 -103.51 -18.33 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.885 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -158.37 169.69 23.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.605 ' NH1' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -145.83 156.98 51.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 27.0 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.0 mt -141.7 173.77 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.0 74.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.93 -177.54 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -92.56 31.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 p -134.15 -51.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -46.27 123.19 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD22 ' HB ' ' A' ' 37' ' ' THR . 11.1 mt -108.8 144.9 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 66.7 m-85 -145.22 138.67 26.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' NH1' ' A' ' 73' ' ' ARG . 8.6 t -127.59 165.84 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 69.4 m-85 -82.77 127.34 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 73' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 11' ' ' ILE . 88.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.27 -47.31 86.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.49 -22.91 66.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 8' ' ' LEU . 80.6 mt -78.17 -43.01 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.756 HG21 ' CD1' ' A' ' 71' ' ' PHE . 76.2 t -63.38 -48.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -50.14 -42.19 50.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.4 tttt -63.7 -49.4 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.629 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.8 mmm -58.59 -36.32 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 12' ' ' VAL . 16.3 m-70 -58.01 -29.85 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.7 170.77 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -118.5 -41.55 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -58.99 -58.33 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.9 p -101.05 -19.74 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -72.26 -173.0 20.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -67.28 -178.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -148.35 91.29 4.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.812 ' OG1' HD22 ' A' ' 99' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.609 ' HE1' HD22 ' A' ' 43' ' ' LEU . 6.9 p90 -176.39 132.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 96' ' ' SER . 11.1 mt -39.71 140.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -59.76 -31.8 72.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -68.18 -38.38 81.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -34.95 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HE1' ' A' ' 38' ' ' PHE . 6.0 tp -74.65 -45.82 42.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 59' ' ' ALA . 43.4 t -56.13 -67.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.646 ' HA ' HD12 ' A' ' 48' ' ' ILE . 20.5 t0 -44.06 -37.84 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 83.3 t90 -63.86 -68.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 62' ' ' LEU . 37.5 mt -39.74 -34.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 45' ' ' ASP . 83.3 mt -67.01 -54.67 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' TRP . 12.5 t -69.89 -18.0 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.9 m -73.49 -14.13 61.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.8 t30 82.62 8.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE2' HG12 ' A' ' 11' ' ' ILE . 4.6 m-30 -92.49 -17.26 24.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 151.3 50.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.77 -24.99 14.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.67 166.41 32.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -41.31 -34.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -59.1 -74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 62' ' ' LEU . 29.5 mm-40 -39.91 -41.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.89 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -62.85 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 13.6 t -49.87 -41.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -45.85 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.2 mm? -49.87 -32.11 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.62 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -73.52 -57.53 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -55.23 -23.08 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 72' ' ' LEU . 10.2 mt -69.85 -44.9 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.852 ' CG ' HD12 ' A' ' 72' ' ' LEU . 12.6 mtm -55.9 -38.69 70.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -44.26 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -64.8 -8.46 15.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.918 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.9 OUTLIER 82.2 28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 14.9 m-85 -92.64 -29.83 15.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.852 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -143.01 170.7 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -155.12 151.85 23.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 13.0 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.507 0.194 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 -175.11 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.83 69.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.01 -171.49 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.812 ' O ' HD22 ' A' ' 39' ' ' LEU . 13.1 m -87.86 -24.3 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 11.4 p -71.47 -63.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.28 135.54 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.812 HD22 ' OG1' ' A' ' 37' ' ' THR . 5.1 mt -127.93 158.22 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 90.1 m-85 -162.59 131.02 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 73' ' ' ARG . 9.1 t -113.18 -159.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.449 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 16.4 m-85 -107.61 132.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 66' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -40.89 -30.63 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -87.91 -41.14 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -66.43 -55.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 71' ' ' PHE . 57.4 t -41.17 -52.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.87 -47.69 51.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.3 tttp -61.84 -53.36 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.614 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.0 mmm -55.39 -33.13 63.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.13 -17.19 57.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.73 156.67 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -109.07 -15.07 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -68.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.4 p -92.19 -6.99 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.83 -166.21 42.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.1 178.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -149.54 91.61 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 101' ' ' THR . 15.3 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 100' ' ' TYR . 43.8 p90 -129.58 135.74 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 96' ' ' SER . 40.2 mt -52.3 152.87 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 100' ' ' TYR . . . -60.72 -36.33 91.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -70.38 -39.05 74.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -51.69 -40.46 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 43' ' ' LEU . 5.8 tp -67.98 -51.75 43.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.966 HG13 ' HB3' ' A' ' 59' ' ' ALA . 89.1 t -51.57 -63.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -50.42 -44.04 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.9 t90 -56.81 -67.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' TRP . 27.6 mt -38.11 -50.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 56' ' ' ARG . 44.3 mt -61.33 -57.51 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 t -54.71 -25.52 27.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 30.2 m -83.8 -9.12 59.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.1 t30 78.25 19.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 11' ' ' ILE . 14.6 m-85 -88.8 -21.73 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.42 154.65 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.88 -35.39 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -146.05 160.76 41.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.64 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -38.79 -35.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -60.37 -68.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -42.41 -41.49 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.966 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -64.4 -43.96 92.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.1 t -56.54 -41.48 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -43.25 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -62.98 -32.18 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.99 -57.94 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 p -51.34 -31.19 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.622 ' HB3' HD21 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.42 -52.82 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.1 mt -51.42 -49.0 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.835 ' CG ' HD12 ' A' ' 72' ' ' LEU . 22.7 mtm -53.85 -50.26 66.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -47.3 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 8' ' ' LEU . 16.6 mm-40 -61.34 -12.37 13.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.641 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.0 t-20 84.22 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 17.7 m-85 -95.53 -26.31 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.19 172.06 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.05 155.97 32.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 40.7 t80 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.473 0.178 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.16 158.45 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.75 69.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 165.7 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.873 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.8 m -65.04 -44.22 89.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 21.4 p -52.39 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.93 118.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 39' ' ' LEU . 1.2 mt -109.47 161.18 15.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.682 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 79.4 m-85 -147.7 142.58 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.658 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.6 t -131.14 168.08 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -78.89 132.16 36.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 69' ' ' GLU . 75.9 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.735 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -51.27 -30.66 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 2.2 tpp180 -65.88 -12.27 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 52' ' ' PHE . 7.6 mt -109.81 -35.46 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 66' ' ' LEU . 2.1 m -64.41 -41.65 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.37 -44.95 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -34.07 74.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -72.8 -29.74 63.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -61.98 -16.1 48.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' THR . 16.9 t0 -88.71 156.22 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.9 t -115.31 -10.24 12.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m -96.88 -44.44 7.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.2 p -119.05 12.41 12.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.45 -168.51 18.6 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.14 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.39 179.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -144.29 89.9 6.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.571 HG22 ' HB ' ' A' ' 101' ' ' THR . 35.3 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 40.3 p90 -125.12 130.49 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD23 HD21 ' A' ' 99' ' ' LEU . 23.2 mt -50.1 146.65 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.86 53.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -67.0 -38.39 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 tp -64.26 -60.72 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.787 HG13 ' HB3' ' A' ' 59' ' ' ALA . 79.5 t -44.67 -59.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.58 -51.52 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 88.7 t90 -50.99 -66.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.049 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 11' ' ' ILE . 15.3 mt -35.78 -53.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 56' ' ' ARG . 49.2 mt -55.68 -61.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t -52.81 -28.47 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 15.4 m -72.95 -14.87 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.5 t30 81.62 15.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.907 ' CD2' HG23 ' A' ' 11' ' ' ILE . 19.9 m-85 -88.88 -16.94 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.59 162.66 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.878 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.78 -34.33 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 162.49 38.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -39.56 -34.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.346 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -60.52 -69.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.878 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 26.6 mt-10 -41.24 -36.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.787 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -75.96 -44.92 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.3 t -51.7 -46.17 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -44.26 67.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.68 -40.99 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -62.41 -58.69 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -55.2 -29.52 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.573 ' CE ' HD21 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 12' ' ' VAL . 3.0 mt -70.35 -42.83 71.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.825 ' HG3' HD12 ' A' ' 72' ' ' LEU . 5.2 mtm -57.54 -37.8 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -47.44 77.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.914 ' HG3' HD12 ' A' ' 8' ' ' LEU . 35.1 mm-40 -60.57 -12.3 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.919 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 26.2 t30 85.72 25.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -88.49 -32.97 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -140.99 171.05 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.21 153.68 28.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 12.3 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.507 0.194 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mt -136.24 169.76 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -133.36 70.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.26 167.64 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 39' ' ' LEU . 36.9 m -59.67 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' ALA . 3.0 p -39.62 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.19 138.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 mt -136.62 158.17 45.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 87.8 m-85 -159.78 135.76 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.8 t -113.54 -167.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.458 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.6 m-85 -101.06 130.46 47.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.82 93.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -105.22 112.74 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.29 62.82 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -152.74 -66.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 0.755 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.56 -58.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -90.63 -59.22 1.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 11' ' ' ILE . 74.2 mt -39.78 -34.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.727 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 1.2 t60 -54.13 -54.47 39.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.01 -20.21 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 8' ' ' LEU . 97.0 mt -81.81 -43.68 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.629 HG21 ' CE2' ' A' ' 71' ' ' PHE . 75.4 t -62.92 -49.05 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -48.58 -41.44 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -52.22 57.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.619 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -56.95 -34.7 68.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.423 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-70 -60.19 -19.96 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -90.21 159.89 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -109.54 -24.5 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -72.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.3 p -90.44 -13.18 35.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.54 -166.85 30.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -74.32 179.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -151.24 91.46 3.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.01 168.3 25.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.439 1.757 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 178.28 159.29 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.86 11.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -112.04 -26.57 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 mtp 57.34 69.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.786 ' HB3' HG11 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -61.56 -68.45 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -146.87 69.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.7 174.43 20.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 60.2 m 53.76 -179.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 0.738 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -115.05 -35.56 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 32' ' ' SER . 44.6 m-85 55.93 88.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -94.57 126.93 40.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt 76.25 58.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.534 ' HB ' HD22 ' A' ' 99' ' ' LEU . 9.4 p -137.38 140.97 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 46.5 p90 -123.14 139.6 53.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 96' ' ' SER . 25.0 mt -60.98 145.56 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.76 -44.54 48.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -63.78 -35.97 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -40.6 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 4.7 tp -72.0 -55.39 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' A' ' 59' ' ' ALA . 72.6 t -47.49 -60.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.76 -43.27 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.8 t90 -57.09 -66.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.6 mt -38.01 -47.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 56' ' ' ARG . 50.3 mt -65.38 -56.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 t -53.6 -27.94 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -78.07 -14.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.027 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.4 t-20 82.91 20.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 19.9 m-85 -91.6 -18.33 24.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.85 157.54 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -97.71 -35.6 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.6 t -141.3 160.88 39.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.832 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.9 -36.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.46 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.806 ' O ' HD12 ' A' ' 62' ' ' LEU . 30.8 mt-10 -42.15 -33.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.44 -44.54 24.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 56' ' ' ARG . 42.5 t -53.15 -45.0 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -43.09 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.43 -36.59 76.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.26 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -57.79 -26.16 61.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG2' HD11 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -70.28 -40.27 74.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 12.5 mt -64.72 -46.07 83.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.856 ' HG3' HD12 ' A' ' 72' ' ' LEU . 10.8 mtm -54.51 -39.61 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.44 -12.29 9.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.573 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.4 t-20 85.9 32.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CE2' HG21 ' A' ' 12' ' ' VAL . 18.7 m-85 -99.64 -31.41 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.93 171.5 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.81 153.3 28.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.93 144.58 30.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.705 HG12 ' H ' ' A' ' 76' ' ' GLY . 1.9 t -111.33 -176.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.705 ' H ' HG12 ' A' ' 75' ' ' VAL . . . -54.08 -168.24 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG11 ' HB3' ' A' ' 29' ' ' GLU . 7.5 m 48.33 -158.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.29 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.4 m 63.76 73.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.04 171.92 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.83 -100.18 1.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.05 62.92 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mm -82.86 121.08 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.54 135.31 53.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 p -119.28 48.62 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.51 -66.51 0.84 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.68 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD11 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -47.2 -61.14 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 50.07 -178.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -133.13 44.35 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 86.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 23.6 t80 -177.52 124.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.12 164.85 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -123.12 73.94 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.42 -169.53 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.731 ' O ' HD22 ' A' ' 39' ' ' LEU . 18.0 m -89.7 -43.63 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 p -53.17 -59.8 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.03 133.16 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.534 HD22 ' HB ' ' A' ' 37' ' ' THR . 1.5 mt -126.33 166.49 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 76.2 m-85 -161.6 147.88 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.568 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.7 t -132.15 163.84 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' PHE . 11.6 m-85 -75.18 136.34 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -77.74 128.55 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -8.87 57.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.41 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -90.29 84.76 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 6.6 p90 -173.81 -175.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 10.6 mttm -69.29 105.73 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -139.1 99.36 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -49.41 159.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -154.0 148.25 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.3 m -44.48 103.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.3 t -145.14 78.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 68.98 72.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 164.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.21 111.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.53 155.08 20.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.2 13.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 167.53 12.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -123.28 167.28 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -160.33 113.29 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -145.17 115.91 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.25 58.67 1.61 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -174.69 70.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -101.53 -38.39 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -54.75 -45.21 79.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 HD12 ' A' ' 11' ' ' ILE . 80.1 mt -42.86 -28.07 0.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 6' ' ' SER . 8.8 m170 -57.61 -48.51 79.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.8 -25.94 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 HD23 ' A' ' 8' ' ' LEU . 55.5 mt -76.54 -46.21 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 71' ' ' PHE . 95.3 t -58.04 -49.98 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.18 -46.15 54.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.33 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.605 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.4 mmm -55.54 -38.16 68.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.432 ' CD2' HG12 ' A' ' 12' ' ' VAL . 5.8 m-70 -58.1 -24.36 58.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.53 164.36 23.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -115.65 -35.51 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -62.94 -58.9 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.5 p -104.15 -19.62 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.93 -170.37 17.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.03 177.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -151.85 92.79 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 91.47 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 100.46 42.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -58.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 40.34 54.55 2.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 41.75 59.35 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -48.06 -60.99 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -164.7 87.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.13 143.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.0 m 58.59 88.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 m -59.22 96.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CD1' HD13 ' A' ' 99' ' ' LEU . 31.1 m-85 -59.41 132.4 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -84.95 108.59 17.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm 46.14 87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.551 HG22 ' HB ' ' A' ' 101' ' ' THR . 19.4 p -147.62 151.18 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 34.2 p90 -126.72 134.55 50.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 96' ' ' SER . 28.6 mt -51.76 149.44 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.42 91.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.6 t -65.16 -38.05 89.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.9 -44.72 70.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.9 tp -66.26 -58.41 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.791 HG13 ' HB3' ' A' ' 59' ' ' ALA . 74.1 t -43.87 -65.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -48.18 -48.84 34.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.3 t90 -52.31 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD22 HD22 ' A' ' 62' ' ' LEU . 21.0 mt -39.12 -46.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.4 mt -62.17 -51.78 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' TRP . 13.7 t -60.76 -26.99 67.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 2.3 m -76.27 -0.83 23.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.944 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.63 20.11 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 11' ' ' ILE . 15.7 m-30 -92.5 -20.15 21.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.68 159.15 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.712 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.13 -34.15 9.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.37 161.77 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.835 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.22 -36.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.17 -67.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.788 ' O ' HD12 ' A' ' 62' ' ' LEU . 32.6 mt-10 -43.5 -33.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.791 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -78.64 -41.62 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 56' ' ' ARG . 34.1 t -55.82 -43.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -40.09 68.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.38 -36.51 80.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.65 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.75 -58.27 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -53.64 -29.91 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.402 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.18 -46.61 73.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.892 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 mt -59.5 -44.48 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.973 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.3 mtm -57.51 -41.57 81.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.51 93.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -63.65 -9.67 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-20 85.27 25.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.3 m-85 -95.48 -12.22 26.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.973 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -162.66 170.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.645 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 148.28 23.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.01 125.04 9.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 99' ' ' LEU . 12.0 m -89.15 -179.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.721 ' O ' HG22 ' A' ' 77' ' ' VAL . . . -58.41 -141.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 76' ' ' GLY . 7.1 m 50.1 -156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' HG23 ' A' ' 77' ' ' VAL . 34.3 mmt180 -42.31 -57.71 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 m -49.99 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.441 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 66.36 63.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.42 -96.97 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -93.45 -9.96 36.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 9.7 mm 56.86 163.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 129.24 34.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.7 t -109.94 47.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.9 69.41 1.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.36 -169.85 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.02 20.75 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.11 169.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' PHE . 15.6 pt-20 -120.9 30.97 6.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.5 88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE2' ' CZ ' ' A' ' 100' ' ' TYR . 25.9 t80 -162.02 144.48 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.1 mt -107.15 171.35 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -136.19 71.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.86 162.15 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' HD22 ' A' ' 39' ' ' LEU . 64.3 p -55.36 -56.78 16.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.4 p -37.21 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.46 145.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.713 ' HB3' HG21 ' A' ' 75' ' ' VAL . 3.6 mt -133.75 169.61 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CZ ' ' CE2' ' A' ' 92' ' ' PHE . 70.9 m-85 -166.06 142.38 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.645 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.1 t -126.66 178.63 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.5 m-85 -87.97 135.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -91.84 139.18 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ALA . 14.2 mm-40 35.64 -102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER 173.39 62.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 105' ' ' SER . 53.2 p90 40.51 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 8.4 pttt -60.7 113.17 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 107.91 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -63.0 131.42 48.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.24 150.69 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 m -42.69 104.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.29 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.84 76.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -154.52 98.7 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 p -167.56 -58.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.2 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.82 6.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.41 145.81 4.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.5 p 179.14 141.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.28 97.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -162.94 107.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 54.73 169.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' SER . 9.1 m 63.95 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.9 t 87.9 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.05 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -111.1 -54.51 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 11' ' ' ILE . 22.3 mt -39.75 -35.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -56.13 18.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.57 -20.72 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 8' ' ' LEU . 52.3 mt -80.59 -44.32 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG21 ' CG ' ' A' ' 71' ' ' PHE . 66.2 t -63.2 -48.64 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -48.37 -51.12 27.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -56.44 -51.0 70.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.0 mtp -59.67 -23.53 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.11 -12.48 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -112.7 -5.37 13.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -88.38 0.7 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.07 -172.57 38.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.14 179.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -147.33 90.42 5.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 121.62 6.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -115.39 144.5 32.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.55 6.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -78.14 109.9 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 164.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.07 -57.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -168.86 102.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.34 55.81 1.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.11 107.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -88.86 120.25 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -94.57 98.35 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 137.61 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.56 45.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.596 HG22 ' HB ' ' A' ' 101' ' ' THR . 12.3 p -143.18 148.1 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' C ' HD23 ' A' ' 99' ' ' LEU . 43.2 p90 -126.08 133.17 51.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 96' ' ' SER . 32.7 mt -45.85 159.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -72.81 -30.07 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -74.86 -37.2 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -47.73 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 4.9 tp -59.77 -57.29 13.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.964 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 46.1 t -45.14 -71.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.8 -48.19 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.5 t90 -52.92 -66.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 62' ' ' LEU . 14.4 mt -38.14 -53.0 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 56' ' ' ARG . 55.7 mt -57.75 -55.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -53.81 -34.71 60.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -75.6 -4.41 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.6 t30 73.01 20.55 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.5 m-30 -91.31 -17.47 25.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.51 153.2 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.17 -44.07 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 p -139.13 163.84 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -40.66 -31.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.13 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -43.93 -41.16 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.964 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -64.59 -42.33 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 56' ' ' ARG . 18.9 t -59.15 -42.33 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -44.83 64.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.49 -30.46 65.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.17 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -52.12 -28.18 16.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.32 -42.98 78.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.806 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -64.24 -48.49 75.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.917 ' CG ' HD12 ' A' ' 72' ' ' LEU . 13.3 mtm -53.4 -42.48 67.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -47.46 80.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 9.1 mm-40 -59.54 -12.8 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 86.16 33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.3 m-85 -101.03 -22.65 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.917 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -150.66 173.27 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -149.97 149.68 28.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' O ' ' CG ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -75.06 104.82 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.6 t -68.82 164.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.511 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -50.08 -102.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.705 HG21 ' HB2' ' A' ' 99' ' ' LEU . 13.2 m 38.21 -145.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.564 ' N ' HG23 ' A' ' 77' ' ' VAL . 1.3 tpt180 -64.77 -48.61 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.0 m -54.51 -167.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 63.07 55.45 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.97 -80.17 1.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.37 42.21 3.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 1.2 mp -65.04 150.0 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -145.58 90.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.8 p -70.97 68.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.95 -42.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -83.69 169.15 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.8 tm? -78.15 -8.32 58.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -39.24 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -120.04 52.49 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.79 110.65 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.67 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 24.2 t80 -177.57 108.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.0 163.49 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.2 t70 -130.44 69.81 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.97 179.16 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.9 m -70.14 -46.71 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.3 p -49.97 -69.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -39.8 133.8 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -130.79 160.1 35.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 92' ' ' PHE . 98.3 m-85 -154.31 137.08 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 37' ' ' THR . 12.4 t -117.56 165.27 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -77.57 135.49 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.526 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -81.86 -1.36 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER 27.61 89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.473 ' CB ' ' OD1' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -163.62 88.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -165.02 170.05 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.43 117.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 126.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.88 118.9 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 p -173.13 155.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.2 m -75.03 78.97 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -177.68 158.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -121.85 160.02 25.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -159.52 -57.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.94 147.59 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.39 105.31 2.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -131.84 128.02 37.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 p -135.65 169.0 18.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -148.3 -55.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.771 . . . . 0.0 110.003 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -173.47 152.25 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.82 -105.64 1.44 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -93.67 43.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -54.12 -42.32 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -61.08 -62.63 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.623 ' HA ' HD12 ' A' ' 11' ' ' ILE . 97.9 mt -44.62 -27.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -62.19 -61.05 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.52 -21.31 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.624 HG23 ' CD2' ' A' ' 52' ' ' PHE . 76.1 mt -78.51 -43.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 71' ' ' PHE . 35.1 t -65.06 -49.76 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -42.43 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.604 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.4 mmm -54.76 -30.91 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 106' ' ' TYR . 19.1 m-70 -64.63 -25.8 68.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.03 156.89 33.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -109.01 -11.67 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -97.57 -63.86 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 p -91.49 -5.6 53.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.66 -168.32 39.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.07 179.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -151.96 92.65 3.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.04 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 127.32 35.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.95 32.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.437 1.756 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -169.23 33.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 55.25 167.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -164.14 -51.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -133.64 -68.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.58 -70.26 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.4 178.85 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 0.735 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.9 t -104.23 -16.51 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 43.62 95.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 20.2 mttt -70.99 -80.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -69.52 69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.819 ' HB ' HD12 ' A' ' 99' ' ' LEU . 10.3 p -152.38 142.59 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 38.8 p90 -127.85 128.32 45.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 96' ' ' SER . 10.5 mt -40.36 150.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.99 -33.2 83.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -71.73 -34.47 69.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -56.58 -50.52 71.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.4 tp -57.83 -47.78 81.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -53.5 -68.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.41 -34.8 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.8 t90 -64.67 -64.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -39.76 -50.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.7 mt -58.99 -57.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -54.12 -28.75 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.68 5.04 19.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.78 21.94 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.624 ' CD2' HG23 ' A' ' 11' ' ' ILE . 14.8 m-30 -93.23 -15.29 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.86 158.29 44.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.75 -36.73 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 158.94 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.774 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -38.53 -37.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -59.03 -67.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -42.38 -42.74 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.854 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -63.94 -42.49 97.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.5 t -60.1 -40.58 83.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -40.81 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.586 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -61.41 -28.56 69.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -67.98 -60.46 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -52.26 -33.66 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -37.16 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.6 mt -72.27 -44.83 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.912 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.7 mtm -58.39 -36.44 73.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' HG2' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -68.17 -45.85 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.1 mm-40 -60.81 -11.51 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.845 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 2.1 t-20 86.23 24.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -89.61 -29.32 18.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.912 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.18 173.2 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.555 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.29 155.47 30.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.1 Cg_endo -75.02 135.08 18.57 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 76' ' ' GLY . 39.7 t -124.6 169.12 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.525 ' N ' HG12 ' A' ' 75' ' ' VAL . . . 76.76 -124.35 7.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.9 m -128.92 -43.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.0 OUTLIER -63.13 147.6 50.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 3.6 t 86.45 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.501 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 57.8 mmm -59.51 95.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.692 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -133.03 56.9 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 83.6 -7.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 84' ' ' ARG . 1.4 mm 44.28 -168.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.731 ' H ' HG22 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -160.38 133.27 6.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.18 48.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' ASP . . . -174.16 -93.98 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' GLY . 1.6 m-20 -39.77 130.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.77 -57.93 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 46.73 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' PHE . 12.5 pt-20 -129.45 22.78 5.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.93 96.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 34.6 t80 -179.01 162.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 79' ' ' SER . 4.0 mt -132.18 171.16 14.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -133.74 68.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -169.99 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.415 ' CB ' HD13 ' A' ' 39' ' ' LEU . 23.9 m -102.35 15.97 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -118.68 -36.17 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.51 84.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.0 mm? -72.36 168.94 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 69.7 m-85 -164.79 137.68 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.555 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.8 t -126.95 163.37 23.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.98 132.96 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -77.33 143.23 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 105' ' ' SER . 3.4 mm-40 37.73 -102.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 0.5 OUTLIER 163.14 114.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -54.19 -171.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.056 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.45 135.84 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -175.16 146.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -69.42 158.56 34.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.06 98.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 t -105.28 -60.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m 63.94 167.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 172.85 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.29 143.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -174.94 168.97 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.58 98.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 p -163.8 148.82 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.3 82.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -178.48 112.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -166.95 107.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.44 32.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.7 p -39.77 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.7 t 85.57 -48.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 -48.07 4.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' HB3' HD23 ' A' ' 66' ' ' LEU . 77.8 mt -55.65 -57.35 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -50.24 -26.67 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 1.1 tpp180 -84.71 -38.99 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 HD23 ' A' ' 62' ' ' LEU . 3.1 mt -64.11 -51.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.659 HG12 ' CD2' ' A' ' 16' ' ' HIS . 53.1 t -55.1 -49.72 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -40.4 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -84.81 -53.09 5.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 mtm -58.43 -21.52 51.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.659 ' CD2' HG12 ' A' ' 12' ' ' VAL . 1.5 m-70 -71.38 -17.52 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -90.96 159.77 16.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 t -118.87 -0.25 11.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.4 m -102.45 -46.58 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 p -117.56 4.43 12.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.62 -161.27 26.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tt -72.49 178.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -145.09 90.37 6.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -75.04 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.45 124.7 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.75 43.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 177.68 103.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.87 113.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.57 55.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 48.19 54.14 10.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.9 -60.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.565 ' O ' ' CE2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -160.1 175.0 13.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.03 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 m -78.32 -37.38 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' O ' ' A' ' 32' ' ' SER . 29.9 m-85 52.9 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 111.79 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.75 90.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.869 HG22 ' HB ' ' A' ' 101' ' ' THR . 10.8 p -137.84 149.58 46.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 30.1 p90 -124.58 148.09 48.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.8 HD22 ' O ' ' A' ' 96' ' ' SER . 36.3 mt -64.33 152.0 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.56 -29.76 74.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -76.22 -32.28 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -57.89 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 43' ' ' LEU . 6.7 tp -51.75 -49.12 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.958 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 11.8 t -54.43 -77.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 44' ' ' VAL . 12.0 t0 -40.38 -39.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 15' ' ' MET . 82.1 t90 -61.18 -67.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.038 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD23 ' HD2' ' A' ' 52' ' ' PHE . 22.4 mt -39.18 -47.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 56' ' ' ARG . 56.9 mt -61.36 -61.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 t -52.74 -31.71 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 52' ' ' PHE . 1.9 t -73.88 -14.87 61.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' SER . 51.2 t30 83.64 18.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 22.0 m-30 -93.35 -14.88 26.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.35 152.86 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.92 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 172.61 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.749 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.7 mmt180 -48.32 -34.0 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.47 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.3 -42.34 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.958 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.87 -42.27 97.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 56' ' ' ARG . 39.5 t -59.96 -41.45 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -42.28 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.586 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.26 -28.79 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.94 -57.19 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 p -53.66 -23.85 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -47.45 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.861 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.9 mt -58.94 -42.75 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.869 ' HG3' HD12 ' A' ' 72' ' ' LEU . 12.9 mtm -58.22 -37.41 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -45.96 81.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 16.3 mm-40 -62.08 -11.67 15.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-20 85.96 29.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 20.8 m-85 -95.74 -26.87 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.869 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -144.92 167.39 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.593 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -150.48 150.45 28.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.99 146.4 32.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 99' ' ' LEU . 15.8 m -112.49 -175.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.647 ' O ' HG22 ' A' ' 77' ' ' VAL . . . -57.37 -157.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 76' ' ' GLY . 11.0 m 48.25 -152.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 77' ' ' VAL . 38.3 mmt180 -46.24 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 0.9 OUTLIER 81.24 -156.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.586 ' HA ' HD11 ' A' ' 83' ' ' ILE . 3.4 mtt 51.77 59.07 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.39 -132.1 3.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 84' ' ' ARG . . . -76.34 -2.95 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.626 HG22 ' H ' ' A' ' 84' ' ' ARG . 4.7 mm 45.38 -140.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.626 ' H ' HG22 ' A' ' 83' ' ' ILE . 3.2 mtp180 53.74 64.71 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 t -67.61 67.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . -90.43 -110.26 1.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' LEU . 1.6 m-20 -52.57 -176.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -39.2 -60.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 48.37 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -142.89 42.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -64.79 178.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.705 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 30.9 t80 62.63 145.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 11.2 mt -111.29 166.95 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.638 ' OD1' HG11 ' A' ' 44' ' ' VAL . 7.3 t70 -128.97 69.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.0 177.71 8.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.8 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.36 -24.88 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.453 ' CB ' ' HG3' ' A' ' 78' ' ' ARG . 46.2 p -69.84 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 93' ' ' LEU . . . -40.28 133.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' A' ' 75' ' ' VAL . 5.7 mt -129.78 168.09 17.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.705 ' CE2' ' CE2' ' A' ' 92' ' ' PHE . 99.3 m-85 -163.48 168.21 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.869 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.2 t -152.3 164.13 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -80.44 134.87 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -69.42 161.56 29.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -38.64 -35.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER 173.49 -164.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -127.82 -175.88 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -55.72 163.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.0 52.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.2 165.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 110' ' ' VAL . 14.6 p -78.09 65.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.23 170.67 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 171.03 6.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 154.98 45.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -108.21 -57.42 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.53 170.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.13 -172.15 18.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.06 4.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.14 172.06 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.4 -58.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -175.42 145.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.04 160.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.25 147.49 47.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p 46.57 77.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 4.3 t -106.85 -44.98 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -45.97 -51.42 10.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 11' ' ' ILE . 79.4 mt -44.35 -31.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.738 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.1 t-80 -57.21 -45.24 84.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.563 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.78 -21.18 66.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 52' ' ' PHE . 89.9 mt -82.12 -41.63 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG12 ' CD2' ' A' ' 16' ' ' HIS . 96.1 t -60.67 -43.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.33 -52.56 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 tttt -55.7 -50.8 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 4.9 mmm -54.66 -41.71 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.687 ' CD2' HG12 ' A' ' 12' ' ' VAL . 42.2 m-70 -53.97 -33.21 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.04 165.22 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -115.17 -31.85 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -73.48 -58.28 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 p -98.14 -14.26 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -79.3 -171.52 41.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -70.78 -178.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -153.05 92.31 3.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.95 131.85 14.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 159.29 54.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.96 157.56 42.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -178.03 98.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 141.97 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -141.21 -55.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -120.4 -60.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.08 -92.42 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.31 113.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 0.737 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -72.45 93.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 44.5 m-85 -68.41 91.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -11.68 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.04 51.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 101' ' ' THR . 24.2 p -146.83 155.24 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 39.8 p90 -123.6 141.09 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' O ' ' A' ' 96' ' ' SER . 24.3 mt -62.64 148.09 47.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.68 -36.57 65.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -67.86 -36.77 80.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -48.83 80.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -60.58 -53.85 52.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 59' ' ' ALA . 30.2 t -47.11 -70.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -45.97 -46.47 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 90.3 t90 -54.09 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.594 HD23 ' HD2' ' A' ' 52' ' ' PHE . 16.8 mt -43.42 -53.92 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.736 HD11 ' HA ' ' A' ' 56' ' ' ARG . 65.0 mt -56.1 -59.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -53.92 -27.28 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -82.95 7.84 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.13 18.26 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' HD2' HD23 ' A' ' 47' ' ' LEU . 17.2 m-30 -90.53 -16.99 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.79 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.04 -37.46 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.63 161.11 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 48' ' ' ILE . 2.2 mpt_? -39.52 -38.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.494 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -57.98 -66.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -40.79 -45.28 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.78 -44.53 96.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 94' ' ' ASP . 30.9 t -58.39 -40.19 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -41.11 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -64.14 -34.5 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.15 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -48.82 -46.42 41.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -50.81 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.845 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.8 mt -55.07 -48.41 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.886 ' HG3' HD12 ' A' ' 72' ' ' LEU . 14.2 mtm -53.82 -37.78 63.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.564 ' OE1' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -65.51 -42.49 92.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.621 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mt-10 -68.28 -5.7 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.0 OUTLIER 81.16 20.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE2' ' CB ' ' A' ' 69' ' ' GLU . 22.8 m-85 -86.61 -16.59 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -159.15 173.15 16.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.591 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.09 156.41 32.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.99 130.03 12.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.27 156.25 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.73 -177.99 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.1 m -72.49 -166.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.39 -58.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.475 ' O ' HD11 ' A' ' 83' ' ' ILE . 6.4 m -74.08 -45.01 51.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.9 mmt -61.66 -15.7 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.93 93.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.88 90.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.475 HD11 ' O ' ' A' ' 79' ' ' SER . 29.9 mm -92.83 146.14 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.49 152.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.42 49.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.75 60.12 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.72 144.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.033 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -48.48 -37.4 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.63 ' N ' HD13 ' A' ' 88' ' ' LEU . . . -36.22 142.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 64' ' ' SER . 3.6 mp0 -128.15 12.34 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 90' ' ' GLU . 2.9 tm0? 35.04 91.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.7 t80 -124.22 125.49 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -93.25 176.82 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.507 ' HB2' HG22 ' A' ' 60' ' ' VAL . 7.1 t70 -134.98 71.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.74 169.12 18.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.595 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.0 p -63.09 -56.59 15.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.6 p -43.59 -68.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -39.89 109.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.484 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.1 mt -101.53 165.88 11.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 95.6 m-85 -161.07 137.82 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.5 t -122.97 176.29 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.441 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 20.8 m-85 -82.6 133.95 35.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -85.69 141.79 29.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mt-10 37.11 -103.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 0.6 OUTLIER 165.87 123.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.027 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.646 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -52.84 -173.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.436 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 9.2 mttt -62.94 130.66 45.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -172.35 146.74 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.2 34.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.1 t 64.14 106.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -166.47 115.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.5 t -175.43 -58.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.92 164.42 33.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.41 128.1 35.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.54 -101.34 0.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.57 4.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.64 138.72 26.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.0 m -136.43 141.14 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -178.49 137.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.83 160.23 16.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.87 176.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 40.39 72.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -90.15 58.89 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -173.97 -58.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 12' ' ' VAL . 71.7 mt -38.19 -35.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 0.811 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 1.8 t60 -61.08 -55.93 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.99 -22.51 64.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 94.6 mt -79.27 -42.04 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 8' ' ' LEU . 65.1 t -62.32 -42.42 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -55.37 -52.99 61.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -55.22 26.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.1 mtp -49.36 -49.02 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -45.34 -35.47 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD2' ' N ' ' A' ' 19' ' ' SER . 10.5 t70 -69.8 163.87 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.88 -28.07 7.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -68.75 -63.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -101.13 -16.64 16.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.1 -159.75 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.31 155.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -126.0 88.95 53.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.33 25.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -113.78 163.34 18.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . 18.3 Cg_endo -74.98 -36.11 2.76 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PRO . 2.2 t30 -39.44 98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -91.82 -174.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' OE2' ' HB ' ' A' ' 97' ' ' THR . 26.2 tt0 -99.8 -53.81 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -170.8 130.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.63 -124.68 8.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.9 137.44 57.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.2 m -80.34 92.23 5.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' HB3' HG21 ' A' ' 37' ' ' THR . 21.4 m-85 -66.18 104.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -83.96 -60.72 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.74 59.81 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.814 ' HB ' HD11 ' A' ' 99' ' ' LEU . 2.9 p -145.54 144.27 30.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 99' ' ' LEU . 18.1 p90 -130.97 124.36 30.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.609 HD23 HD13 ' A' ' 99' ' ' LEU . 18.4 mt -43.51 157.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.75 -27.36 69.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -74.1 -40.21 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -46.46 75.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' A' ' 47' ' ' LEU . 4.8 tp -61.99 -59.07 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.946 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 28.0 t -44.08 -72.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -41.91 -54.44 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.594 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 85.4 t90 -46.81 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' TRP . 24.9 mt -35.62 -56.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.4 mt -55.18 -53.8 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -55.95 -33.99 65.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.055 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 2.5 m -78.28 -7.33 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' SER . 41.2 t30 77.1 20.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 13.2 m-85 -88.8 -19.28 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.91 152.72 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.92 -42.07 12.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -138.49 165.62 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.0 mpt_? -43.93 -34.93 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.32 -64.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -43.45 -42.48 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.946 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -63.67 -42.83 98.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 56' ' ' ARG . 32.0 t -59.19 -38.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -41.0 62.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -29.03 70.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -71.08 -58.9 3.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 p -51.57 -31.11 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.491 ' HG2' HD11 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -66.37 -42.44 87.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.9 mt -66.64 -47.82 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.837 ' HG3' HD12 ' A' ' 72' ' ' LEU . 23.6 mtm -54.81 -40.24 69.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -46.62 82.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.1 mm-40 -62.55 -10.51 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-20 83.86 36.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.0 m-85 -103.54 -23.1 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.837 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.67 173.58 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.578 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.11 155.74 34.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -75.05 140.66 25.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 100' ' ' TYR . 10.5 t -121.71 168.98 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' H ' HG12 ' A' ' 75' ' ' VAL . . . 73.64 -163.25 54.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -108.58 -32.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -52.71 -51.35 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 74' ' ' PRO . 86.8 p -97.0 80.31 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.52 ' CA ' HD12 ' A' ' 83' ' ' ILE . 2.4 mmt -160.64 -56.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' MET . . . 33.06 -97.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' MET . . . -143.06 52.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.52 HD12 ' CA ' ' A' ' 80' ' ' MET . 3.0 mt -66.72 138.07 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -147.56 144.48 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 58.38 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.46 -57.32 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . 4.5 m-20 -144.51 172.05 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.491 HD11 ' HG2' ' A' ' 65' ' ' MET . 1.5 tm? -39.89 -58.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.453 ' O ' HD13 ' A' ' 88' ' ' LEU . . . 49.64 -177.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' PHE . 11.5 pt-20 -134.13 20.23 3.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.414 ' O ' ' OE1' ' A' ' 91' ' ' GLN . 1.7 pp0? -45.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.609 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 29.9 t80 -177.61 130.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.503 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.26 159.24 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 94' ' ' ASP . 3.6 t0 -116.92 75.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.25 177.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.433 ' O ' HD22 ' A' ' 39' ' ' LEU . 6.3 p -74.96 -51.38 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.41 ' HB ' ' OE2' ' A' ' 29' ' ' GLU . 80.3 p -48.54 -59.68 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 113.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.814 HD11 ' HB ' ' A' ' 37' ' ' THR . 42.6 tp -115.14 155.0 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.716 ' HA ' HG23 ' A' ' 75' ' ' VAL . 92.3 m-85 -143.08 141.79 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.744 ' HB ' HG22 ' A' ' 37' ' ' THR . 10.2 t -122.33 176.3 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.06 132.15 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -76.2 175.64 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.31 110.71 16.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.3 p -163.26 50.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -166.82 -177.94 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -49.52 112.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -165.44 164.6 19.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -112.75 114.88 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.8 p -176.01 -38.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m 53.66 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -111.96 138.63 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -50.3 115.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -177.45 81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 m -118.0 158.04 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.35 168.07 52.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.87 5.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m 42.01 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.6 166.4 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.67 149.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -123.33 162.09 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.18 133.46 6.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 41.0 55.48 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.74 57.62 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -168.16 -53.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 HD12 ' A' ' 11' ' ' ILE . 88.7 mt -42.86 -30.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -59.02 -50.33 74.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.91 -22.58 59.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.544 HD12 HD23 ' A' ' 8' ' ' LEU . 79.6 mt -79.7 -44.87 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG12 ' CD2' ' A' ' 16' ' ' HIS . 74.1 t -59.26 -49.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.55 -45.34 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.626 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.6 mmm -58.88 -26.91 64.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.819 ' CD2' HG12 ' A' ' 12' ' ' VAL . 43.4 m-70 -70.43 -7.91 46.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.31 160.6 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -111.88 -26.92 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -63.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -103.22 -13.73 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.73 -179.55 52.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -152.55 92.16 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.417 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.02 167.57 26.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.05 145.22 0.53 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.05 32.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.7 t-20 -165.42 101.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.2 mtp -38.7 96.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' ASN . 7.3 tp10 -79.38 -59.22 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -156.92 60.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.24 -69.36 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.9 161.19 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -104.83 -22.68 13.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.469 ' HB3' HG21 ' A' ' 37' ' ' THR . 37.9 m-85 43.79 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.33 143.71 36.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 68.09 63.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 101' ' ' THR . 16.4 p -146.15 149.85 34.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.442 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -126.86 130.94 51.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 96' ' ' SER . 36.6 mt -43.16 157.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.38 -37.15 90.17 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -71.47 -37.2 71.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -46.88 63.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 38' ' ' PHE . 2.8 tp -61.93 -59.91 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 59' ' ' ALA . 85.7 t -43.04 -66.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -47.64 -46.77 29.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.2 t90 -55.43 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.697 HD22 HD22 ' A' ' 62' ' ' LEU . 15.7 mt -38.01 -38.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 70.5 mt -70.15 -54.43 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' TRP . 22.7 t -58.74 -30.03 67.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 3.1 m -70.23 -14.56 62.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' SER . 29.8 t30 81.81 18.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 22.8 m-30 -91.68 -22.71 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.69 160.58 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -103.92 -34.39 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.2 t -140.06 158.92 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -38.62 -34.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.06 -68.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.734 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.63 -31.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -80.69 -44.0 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.3 t -54.08 -43.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -40.0 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.56 -35.47 76.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.39 -58.65 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -51.92 -29.84 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -50.13 55.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.7 mt -57.95 -45.66 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.931 ' CG ' HD12 ' A' ' 72' ' ' LEU . 17.3 mtm -56.11 -42.61 77.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -41.93 96.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 2.2 mm-40 -64.96 -8.08 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.94 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.1 t-20 83.54 20.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 21.5 m-85 -89.39 -14.2 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.931 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -161.52 173.21 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.91 149.58 23.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.94 108.45 2.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 100' ' ' TYR . 92.2 t -65.58 130.93 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 77' ' ' VAL . . . -61.54 -161.6 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER 80.72 -52.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.352 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -109.18 -69.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -73.5 -149.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.472 ' SD ' HD11 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 61.03 172.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . 112.89 57.87 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 84.06 61.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.708 HG23 ' HG3' ' A' ' 91' ' ' GLN . 2.8 mp -71.53 134.16 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.0 112.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.11 58.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.059 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' LEU . 14.1 m-20 -109.5 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' ASP . 1.6 tt -40.32 -52.58 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.73 176.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -145.78 44.71 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.708 ' HG3' HG23 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -60.68 92.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.833 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 27.5 t80 -177.6 123.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -95.9 176.97 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.18 71.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.92 166.02 25.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HD22 ' A' ' 39' ' ' LEU . 15.4 m -66.08 -49.82 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 98' ' ' ALA . 1.9 p -46.64 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -40.33 134.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -127.68 164.74 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 92.6 m-85 -151.13 139.06 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.644 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.7 t -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 17.6 m-85 -86.07 134.82 33.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -81.5 136.18 35.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 105' ' ' SER . 2.9 mt-10 47.83 23.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 104' ' ' GLU . 46.6 m 35.44 -108.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.432 ' CD1' ' CE1' ' A' ' 16' ' ' HIS . 1.5 t80 -123.36 178.28 5.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 -169.33 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.7 68.98 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -88.47 178.19 6.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 1.1 p -140.65 126.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.4 m -164.83 125.89 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.74 117.17 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 115.32 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.66 76.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.41 76.86 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 51.67 -154.22 4.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 97.72 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.18 127.42 41.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.24 102.1 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 111.03 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -160.39 -56.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -161.41 150.21 16.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.6 -95.4 0.85 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -98.19 52.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.8 52.65 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.964 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -174.74 -55.44 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD22 HD23 ' A' ' 66' ' ' LEU . 8.5 mt -39.86 -35.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -51.0 60.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -63.64 -22.05 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 8' ' ' LEU . 53.4 mt -79.73 -43.73 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 16' ' ' HIS . 73.3 t -61.56 -46.38 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -52.52 -48.75 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -48.87 78.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.5 mtp -62.59 -30.98 71.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' CD2' HG12 ' A' ' 12' ' ' VAL . 5.3 m-70 -61.08 -19.45 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -90.86 155.57 18.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -109.0 -15.8 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -72.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p -93.0 -11.4 33.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 110.423 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.46 -154.03 8.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.44 1.087 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.83 -179.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -150.44 92.27 4.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.88 5.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 162.62 17.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 40.9 82.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.1 mtp -38.91 110.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.91 85.75 5.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 40.84 54.67 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 82.75 1.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.9 m 172.67 172.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.76 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -151.0 -44.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 32' ' ' SER . 96.1 m-85 51.58 39.71 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER 40.5 -106.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.41 98.09 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.643 HG21 HG11 ' A' ' 75' ' ' VAL . 3.2 p -142.4 136.59 29.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 46.5 p90 -106.25 129.56 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 99' ' ' LEU . 15.1 mt -49.29 144.85 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -57.44 -38.58 87.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -43.61 77.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.0 -56.73 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' A' ' 59' ' ' ALA . 87.4 t -47.6 -61.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.5 -43.11 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 91.6 t90 -59.67 -67.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 62' ' ' LEU . 18.5 mt -37.35 -47.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.0 mt -62.15 -58.51 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -53.62 -30.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.2 m -73.66 -13.16 60.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.7 t30 81.5 20.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -90.52 -23.6 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.66 158.52 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.796 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -99.31 -34.77 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' ARG . 3.2 t -141.81 159.35 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.46 -33.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.516 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -62.54 -69.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.85 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.1 mt-10 -41.38 -33.16 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.07 -45.35 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 56' ' ' ARG . 29.9 t -52.5 -45.58 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.74 69.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.09 -41.23 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.606 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -63.57 -58.24 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 p -52.63 -36.32 56.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 2.0 mtm -60.13 -52.92 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.826 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.6 mt -49.98 -46.55 52.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 72' ' ' LEU . 15.6 mtm -55.44 -41.23 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.679 ' OE2' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -56.33 -55.68 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HB2' ' CD2' ' A' ' 71' ' ' PHE . 14.8 mp0 -58.53 -14.89 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t30 88.37 39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' A' ' 69' ' ' GLU . 21.5 m-85 -100.39 -21.26 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.22 174.24 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.569 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.86 156.88 33.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.459 ' CG ' HG12 ' A' ' 83' ' ' ILE . 18.4 Cg_endo -75.02 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.796 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.643 HG11 HG21 ' A' ' 37' ' ' THR . 42.1 t -91.42 135.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.31 -154.68 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.8 m -74.71 175.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 93' ' ' LEU . 6.0 mmp_? 64.7 32.07 11.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' HB2' ' A' ' 74' ' ' PRO . 61.4 p -177.39 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.785 ' HA ' HD11 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -83.74 44.57 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.78 -98.92 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -96.97 -34.44 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.785 HD11 ' HA ' ' A' ' 80' ' ' MET . 3.9 mp 59.43 143.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -43.59 -26.44 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.734 ' H ' HG22 ' A' ' 83' ' ' ILE . 1.6 t 36.89 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . 89.77 57.52 1.71 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -159.68 -175.71 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.679 HD22 ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -100.91 17.82 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' ARG . . . -55.05 144.33 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.58 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 83' ' ' ILE . 1.5 pp0? -89.22 118.95 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 46.9 t80 -177.71 146.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 2.8 mt -116.86 166.69 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 7.4 t70 -130.54 71.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.05 -172.7 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.405 ' HB2' HD13 ' A' ' 39' ' ' LEU . 79.5 p -97.76 16.91 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 p -119.42 -39.33 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 78' ' ' ARG . . . -68.04 84.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 39' ' ' LEU . 3.9 mm? -74.26 171.63 13.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 60.3 m-85 -165.67 140.44 4.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.569 HG23 ' NE ' ' A' ' 73' ' ' ARG . 14.5 t -126.56 165.94 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -79.42 135.08 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -78.02 165.68 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -108.1 117.4 34.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 0.4 OUTLIER 172.91 65.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.653 ' CD1' ' O ' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -178.86 148.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -63.14 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.633 ' HB3' ' CE2' ' A' ' 106' ' ' TYR . 6.0 tttt 173.99 54.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -90.8 150.52 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -110.04 -29.8 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 110' ' ' VAL . 0.2 OUTLIER 37.4 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 88.36 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 159.76 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.15 102.12 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.85 136.25 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.09 100.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 m -95.4 166.19 11.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.89 140.44 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.28 -168.97 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -158.13 -175.01 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.87 168.6 23.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 m 41.9 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.78 -45.78 6.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.38 -58.07 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.05 -37.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' CD ' ' C ' ' A' ' 10' ' ' ARG . 2.0 tpp180 -71.38 -46.23 60.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 52' ' ' PHE . 6.2 mt -59.33 -50.26 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 16' ' ' HIS . 65.0 t -50.61 -51.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.475 ' OD1' ' CE ' ' A' ' 109' ' ' LYS . 1.7 m-20 -48.8 -36.65 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -51.09 20.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.608 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 2.6 mmm -60.04 -28.67 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.588 ' CD2' HG12 ' A' ' 12' ' ' VAL . 1.8 m-70 -66.04 -18.63 65.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 18' ' ' THR . 8.5 t0 -92.1 160.7 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 13.7 t -110.86 -18.65 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -76.57 -69.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -97.52 -3.31 40.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.68 -167.64 43.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.44 179.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -149.06 91.14 4.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 131.71 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 37' ' ' THR . 2.6 m -113.51 160.65 30.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.41 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 43.11 87.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttt -43.34 125.12 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.36 120.65 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 39.34 55.15 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.08 -70.14 1.55 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 102.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -78.54 115.9 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' HG23 ' A' ' 77' ' ' VAL . 52.1 m-85 -83.53 95.11 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -82.89 148.48 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt 66.72 55.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 101' ' ' THR . 21.7 p -148.41 151.42 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.437 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 45.9 p90 -132.5 133.49 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 99' ' ' LEU . 23.9 mt -50.36 150.91 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.18 -41.31 96.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -65.9 -38.63 89.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -51.66 -47.31 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 3.2 tp -62.1 -58.25 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.97 HG13 ' HB3' ' A' ' 59' ' ' ALA . 88.4 t -46.18 -61.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.45 -49.35 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.608 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 89.5 t90 -54.78 -65.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 107.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' TRP . 12.1 mt -38.6 -48.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 56' ' ' ARG . 58.2 mt -62.99 -57.26 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.8 t -53.62 -28.88 35.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 68.6 m -76.47 -12.8 60.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.4 t30 81.07 19.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.0 m-85 -89.56 -21.86 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.32 160.62 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.963 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.37 -35.07 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.58 156.36 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.946 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.26 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -65.0 -67.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.963 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 24.1 mt-10 -42.37 -39.91 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.97 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.7 -45.85 67.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.7 t -53.07 -46.02 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -42.61 88.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -61.71 -37.77 85.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.934 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -60.92 -60.85 3.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -49.4 -41.18 38.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -48.36 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.838 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 mt -60.01 -45.97 91.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 72' ' ' LEU . 18.2 mtm -57.09 -40.89 77.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -44.68 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.4 mm-40 -61.78 -11.38 12.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.887 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 8.1 t-20 86.75 23.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.4 m-85 -91.32 -20.06 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -155.05 174.05 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.12 152.36 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -74.99 108.24 2.67 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.45 139.21 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 77' ' ' VAL . . . -60.74 -159.14 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER 80.29 -53.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' N ' HG12 ' A' ' 77' ' ' VAL . 22.6 tpt180 -117.7 -76.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -60.91 -146.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER 60.78 176.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.82 -86.54 0.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' ILE . . . -102.84 -26.68 13.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 80' ' ' MET . 6.9 mm 58.62 154.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.35 40.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -81.46 78.88 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.05 -54.95 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -80.55 -177.8 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.9 tm? -65.89 -11.45 47.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -38.45 148.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.86 46.5 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.83 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.934 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 31.7 t80 -176.72 134.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.26 167.07 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.9 66.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.26 165.55 28.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 39' ' ' LEU . 75.5 m -61.17 -58.36 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 97' ' ' THR . 80.6 p -38.74 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' CA ' ' HG2' ' A' ' 78' ' ' ARG . . . -41.37 129.57 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -120.2 172.31 7.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 94.7 m-85 -163.39 139.85 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.621 HG22 ' HG2' ' A' ' 73' ' ' ARG . 13.6 t -122.57 174.25 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 11.3 m-85 -84.4 134.91 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -79.62 112.24 16.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.08 108.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p 176.4 82.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CZ ' ' CE1' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -136.78 163.98 29.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -142.9 29.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 107' ' ' LYS . 10.1 tptt 75.87 56.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' CE ' ' OD1' ' A' ' 13' ' ' ASP . 4.8 mtpt 38.38 84.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.12 71.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 127.04 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.49 117.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.35 -168.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 50.77 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 t -165.75 91.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.44 121.8 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.55 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 t 62.72 132.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -148.51 -56.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -157.72 169.7 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.48 -153.07 18.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.44 1.088 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -75.08 72.67 2.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 110.05 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.67 51.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' N ' ' A' ' 9' ' ' HIS . . . -165.94 -55.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 12' ' ' VAL . 75.6 mt -41.53 -28.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' N ' ' C ' ' A' ' 7' ' ' GLY . 5.5 m170 -68.15 -55.98 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -64.19 -21.19 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD13 ' CD2' ' A' ' 62' ' ' LEU . 96.8 mt -79.27 -40.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 71' ' ' PHE . 43.4 t -64.71 -36.82 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -49.16 78.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.44 -47.36 82.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 18.2 mtp -62.23 -32.97 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CD2' HG12 ' A' ' 12' ' ' VAL . 9.0 m-70 -60.19 -21.59 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -87.55 168.72 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -119.93 -37.92 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 m -59.34 -52.92 63.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.7 p -110.51 -19.74 12.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.57 -155.81 1.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -86.93 176.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -149.06 91.84 4.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.1 11.23 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -117.17 150.73 46.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.01 65.47 6.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' OD1' HD11 ' A' ' 39' ' ' LEU . 2.0 m-80 -53.11 -40.39 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 65.67 139.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.79 -45.31 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -159.36 -51.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.74 173.92 22.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.458 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 5.7 m 53.58 90.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.6 m -59.1 106.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 32' ' ' SER . 29.8 m-85 -90.39 75.35 6.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -14.39 59.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -111.0 53.7 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.473 HG22 ' HB ' ' A' ' 101' ' ' THR . 28.1 p -150.25 154.63 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.663 ' HE2' HD22 ' A' ' 43' ' ' LEU . 6.8 p90 -133.98 133.68 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 96' ' ' SER . 26.5 mt -52.54 151.32 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.35 82.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -70.74 -36.27 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -37.72 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 38' ' ' PHE . 9.1 tp -72.69 -54.61 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.875 HG13 ' HB3' ' A' ' 59' ' ' ALA . 44.9 t -48.11 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.16 -44.1 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.596 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.3 t90 -57.89 -67.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 62' ' ' LEU . 18.7 mt -37.76 -47.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 56' ' ' ARG . 63.5 mt -59.86 -53.16 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' TRP . 16.8 t -60.71 -30.86 70.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -69.79 -15.04 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' SER . 46.0 t30 81.86 18.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.688 ' HD2' HD23 ' A' ' 47' ' ' LEU . 22.8 m-30 -91.44 -23.09 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.64 160.0 35.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -102.75 -34.02 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' ARG . 4.3 t -141.6 158.77 43.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.974 ' O ' HG23 ' A' ' 60' ' ' VAL . 6.1 mpt_? -38.58 -34.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.14 -67.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 62' ' ' LEU . 29.7 mt-10 -43.18 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.875 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -77.95 -45.43 23.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 56' ' ' ARG . 53.5 t -52.48 -44.21 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -41.38 72.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -56.85 -38.38 72.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -62.77 -59.8 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 p -53.74 -33.39 55.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.58 -44.37 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.8 mt -62.37 -43.41 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.735 ' HG3' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -57.95 -38.55 76.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.741 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -59.29 -49.85 76.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 2.8 mm-40 -63.84 -10.99 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.608 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 2.3 t30 83.78 36.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 12' ' ' VAL . 22.8 m-85 -97.71 -26.29 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.47 174.62 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.9 157.28 32.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.456 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 130.99 13.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.6 t -124.78 163.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . 87.51 -94.91 2.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' MET . 0.4 OUTLIER -177.88 -48.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 3.0 tpt85 -40.93 -48.36 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 19.7 m -64.99 -38.41 90.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.877 ' HA ' HD13 ' A' ' 83' ' ' ILE . 24.4 mmt -64.86 72.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' SER . . . -110.14 -78.25 0.98 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -108.9 39.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.877 HD13 ' HA ' ' A' ' 80' ' ' MET . 1.3 mp -61.47 164.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 83' ' ' ILE . 87.2 mmt-85 -139.25 154.34 47.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -107.41 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -179.34 82.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER 39.88 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.907 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.3 tm? 75.59 2.16 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.741 ' HB3' ' HG2' ' A' ' 68' ' ' GLU . . . -41.73 98.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.2 mt-10 -137.13 27.46 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.82 139.21 51.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 37.5 t80 -174.23 162.41 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 8.1 mt -129.85 176.34 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -139.46 68.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.72 -165.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.706 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.1 m -99.93 -20.46 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -79.41 -36.92 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 120.72 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.513 ' CD2' HD23 ' A' ' 39' ' ' LEU . 11.9 mt -109.25 158.32 17.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 92' ' ' PHE . 91.4 m-85 -156.62 137.64 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.613 HG22 ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -124.24 174.24 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 38.2 m-85 -83.48 133.9 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -78.64 105.78 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.2 106.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.8 t -160.54 44.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.91 -174.42 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -65.74 120.63 13.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -176.5 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.4 OUTLIER 40.08 32.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 110' ' ' VAL . 14.0 p -45.38 98.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 109' ' ' LYS . 73.4 m 64.48 150.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 55.2 m -86.04 -64.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp 72.54 156.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 76.69 165.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.6 t 63.54 116.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -139.35 -86.21 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.06 19.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.26 157.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.9 m 44.02 90.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -80.5 167.86 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -166.17 101.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.89 -47.65 13.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -98.94 84.62 3.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -85.8 -49.17 8.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.77 -50.39 66.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 69' ' ' GLU . 50.0 mt -55.75 -60.45 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -47.05 -29.12 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -82.28 -44.3 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.669 HG22 ' SD ' ' A' ' 15' ' ' MET . 22.6 mt -64.06 -56.89 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG22 HD22 ' A' ' 66' ' ' LEU . 82.3 t -43.74 -56.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.0 -47.19 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -63.01 -55.22 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 11' ' ' ILE . 29.3 mtp -54.01 -25.34 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.3 m-70 -70.01 -17.19 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.569 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -88.95 160.98 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -112.11 -9.15 13.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.438 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -84.43 -81.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.1 p -87.99 -12.29 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.03 -150.51 6.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -87.52 157.28 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -128.62 89.18 50.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 105.09 2.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.62 132.7 34.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 64.07 6.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -68.8 95.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.438 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 18.8 mtp -42.78 112.21 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -93.32 111.48 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 73.22 -60.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' HA2' ' CE ' ' A' ' 28' ' ' MET . . . 174.61 58.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.15 144.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.768 HG22 ' H ' ' A' ' 35' ' ' LYS . 26.7 m -84.83 141.62 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -106.13 21.28 17.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.768 ' H ' HG22 ' A' ' 33' ' ' THR . 1.1 mtmt 70.4 -168.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -67.83 106.9 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.652 HG22 ' HB ' ' A' ' 101' ' ' THR . 25.6 p -145.83 153.0 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 37.0 p90 -133.75 135.71 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 96' ' ' SER . 30.0 mt -53.8 158.17 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.665 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -69.87 -32.16 70.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -35.02 67.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -51.75 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.812 ' C ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.06 -62.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.886 HG13 ' HB3' ' A' ' 59' ' ' ALA . 48.9 t -37.21 -60.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 48' ' ' ILE . 19.9 t0 -53.18 -49.66 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 74.7 t90 -50.97 -60.51 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 11' ' ' ILE . 6.6 mt -39.28 -42.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.834 HD11 ' HA ' ' A' ' 56' ' ' ARG . 21.4 mt -67.23 -61.27 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -53.27 -25.82 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.589 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 1.5 t -75.05 -13.94 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' SER . 13.3 t-20 82.17 18.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -97.27 -13.57 21.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 154.04 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.03 -29.85 16.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 167.96 28.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -43.69 -31.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.322 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.84 -68.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -39.63 -44.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.886 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -60.85 -47.09 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' ARG . 20.7 t -54.15 -37.23 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -41.42 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.34 -36.24 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -66.55 -57.95 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -53.94 -32.32 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -39.17 93.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 mt -67.11 -44.37 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.956 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.6 mtm -57.52 -37.73 73.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -46.48 74.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mm-40 -61.42 -12.08 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.766 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 44.4 t30 86.86 28.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -94.83 -21.2 18.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.956 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -151.46 171.02 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.606 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.18 153.28 29.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.3 Cg_endo -75.02 136.89 20.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 99' ' ' LEU . 34.3 m -124.87 174.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 -167.78 40.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.19 -34.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -41.77 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.415 ' HA ' HD11 ' A' ' 93' ' ' LEU . 28.3 p -73.45 -149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.934 ' HA ' HD11 ' A' ' 83' ' ' ILE . 50.5 mmm 64.18 53.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.98 103.99 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 40.41 68.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.7 mp -80.97 122.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -102.6 136.86 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.6 m -125.17 54.14 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.66 -58.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.33 162.98 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -41.9 -59.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . . . 56.17 165.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -137.92 51.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.41 ' CD ' ' C ' ' A' ' 91' ' ' GLN . 5.1 tp60 -87.64 115.2 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 93' ' ' LEU . 27.2 t80 -178.21 170.66 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -136.38 168.31 19.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -137.93 76.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.82 -170.92 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.958 ' O ' HD22 ' A' ' 39' ' ' LEU . 4.0 m -92.4 -36.81 12.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -65.47 -27.82 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.8 117.3 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.547 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 1.4 mt -106.65 173.75 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LEU . 70.0 m-85 -165.09 141.73 5.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.652 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.7 t -129.47 163.16 26.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.35 131.23 36.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -71.76 168.4 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -72.37 101.56 2.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -111.76 -156.38 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -52.78 167.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.87 110.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.773 ' O ' HG12 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -173.58 128.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -41.43 111.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 108' ' ' LYS . 12.8 p -171.88 147.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.21 128.87 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -95.53 142.19 28.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.29 173.64 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.06 138.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -162.84 164.74 25.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.69 171.34 27.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.5 p 179.03 138.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.42 163.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 p -177.16 158.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.48 -66.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.68 177.28 31.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 7' ' ' GLY . 1.7 m 41.1 42.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.69 63.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 171.96 -31.63 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.962 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.8 mt -78.44 -22.26 47.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -74.4 -45.09 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.636 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.13 -24.89 65.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 110.275 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 15' ' ' MET . 85.7 mt -79.18 -46.8 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 8' ' ' LEU . 90.1 t -60.31 -49.83 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.35 -44.69 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.668 ' HE1' HD13 ' A' ' 66' ' ' LEU . 33.8 mtp -61.36 -19.31 61.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.87 -10.94 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -101.03 164.21 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -113.09 -30.99 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -68.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -101.14 -21.22 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.94 -152.69 1.46 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tp -84.49 162.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -132.4 88.39 39.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo -75.03 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -92.74 157.33 39.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 61.75 5.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -70.19 108.89 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 ttp -45.28 138.89 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.16 104.27 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 48.11 49.27 17.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.98 98.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER 171.33 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 32' ' ' SER . 32.7 m 47.53 97.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.538 ' OH ' HG13 ' A' ' 77' ' ' VAL . 13.8 m-85 -83.48 120.25 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.25 139.43 30.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm 67.2 47.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 ' HB ' ' A' ' 101' ' ' THR . 1.8 p -142.59 130.54 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 41.7 p90 -115.85 135.22 54.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 96' ' ' SER . 22.1 mt -55.01 145.47 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.74 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -58.15 -33.98 71.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -28.14 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -52.73 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.816 ' C ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -64.74 -58.96 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.846 HG13 ' HB3' ' A' ' 59' ' ' ALA . 54.8 t -39.17 -55.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.681 ' HA ' HD12 ' A' ' 48' ' ' ILE . 16.9 t0 -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 76.0 t90 -52.54 -59.27 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' A' ' 43' ' ' LEU . 7.2 mt -40.42 -44.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 56' ' ' ARG . 36.2 mt -62.8 -61.16 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -53.32 -27.25 22.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.7 m -74.7 -14.37 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' SER . 3.8 t-20 81.26 19.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 21.7 m-85 -96.93 -13.76 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.88 156.39 48.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.6 -42.95 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.2 p -142.11 162.99 34.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HA ' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -38.72 -35.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.37 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -42.45 -45.45 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.51 -45.18 95.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 31.0 t -56.63 -37.98 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -40.04 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.79 -35.87 82.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.23 -58.83 5.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -52.03 -35.3 46.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.575 ' HG2' HD21 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -63.82 -38.98 93.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 72' ' ' LEU . 9.2 mt -68.32 -46.57 69.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 72' ' ' LEU . 4.5 mtm -54.03 -36.14 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -47.55 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.2 mm-40 -61.56 -12.21 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 84.9 38.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.693 ' CG ' HG21 ' A' ' 12' ' ' VAL . 19.6 m-85 -104.33 -26.45 12.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.25 169.45 18.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -137.95 155.34 74.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -74.97 -9.87 21.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 4.5 t 59.16 164.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.504 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -58.15 -159.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.538 HG13 ' OH ' ' A' ' 34' ' ' TYR . 10.3 m 39.86 -149.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 77' ' ' VAL . 17.2 mmt180 -39.02 151.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 80' ' ' MET . 3.7 t 61.49 99.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 79' ' ' SER . 0.0 OUTLIER 162.7 41.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.501 ' N ' HD12 ' A' ' 83' ' ' ILE . . . -74.83 -117.33 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.46 51.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 81' ' ' GLY . 2.5 mp -79.57 128.1 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -150.58 130.3 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -69.56 61.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.32 -53.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.67 130.89 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' A' ' 65' ' ' MET . 0.5 OUTLIER -49.4 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.03 -171.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' PHE . 14.7 pt-20 -127.69 29.51 5.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.25 89.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.73 ' CE2' ' HB1' ' A' ' 63' ' ' ALA . 11.6 t80 -178.68 123.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -93.94 161.4 14.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 94' ' ' ASP . 2.1 t70 -123.2 77.78 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.85 -174.76 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.839 ' O ' HD22 ' A' ' 39' ' ' LEU . 14.9 m -83.61 -36.75 23.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.933 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 17.3 p -62.72 -68.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.08 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.653 ' CD2' HD23 ' A' ' 39' ' ' LEU . 3.8 mt -99.4 139.03 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 92' ' ' PHE . 69.8 m-85 -128.85 141.95 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.729 ' HB ' HG22 ' A' ' 37' ' ' THR . 13.6 t -124.71 173.6 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' LEU . 10.5 m-85 -88.9 128.62 35.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -71.74 179.18 3.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.97 110.01 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.3 t -172.02 56.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.035 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 108' ' ' LYS . 7.2 p90 -175.59 178.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -43.46 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 106' ' ' TYR . 11.0 tttt -170.72 143.59 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -68.3 178.11 2.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.8 p 41.58 41.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 t -149.71 132.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -176.03 166.6 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.43 113.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -174.21 145.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.4 p -60.26 167.45 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -168.97 118.25 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.66 172.66 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.76 154.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.91 109.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 63.31 131.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -130.81 10.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 p -68.98 80.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -87.93 -44.73 10.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.45 11.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 12' ' ' VAL . 90.3 mt -56.15 -48.7 75.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.16 -31.01 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.566 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.99 -40.61 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.901 HG22 ' SD ' ' A' ' 15' ' ' MET . 8.0 mt -65.07 -55.88 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 8' ' ' LEU . 61.3 t -41.82 -55.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -45.84 -53.03 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -50.87 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.901 ' SD ' HG22 ' A' ' 11' ' ' ILE . 21.5 mtp -57.92 -38.16 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.4 m-70 -55.12 -20.73 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.04 161.32 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 t -111.36 -24.41 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.43 -66.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 p -92.07 -5.85 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.37 -164.27 38.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.043 HG23 ' HD3' ' A' ' 24' ' ' PRO . 1.9 tt -73.95 177.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 71.23 71.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.043 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.3 Cg_endo -74.99 63.38 5.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -71.84 161.38 79.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 40.32 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mtp -44.01 105.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -53.57 56.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -151.31 -46.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.36 58.83 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -179.95 150.75 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -104.29 -25.25 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 32' ' ' SER . 69.7 m-85 54.44 30.24 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 42.42 48.26 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm 63.44 118.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.478 HG21 HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -152.26 155.59 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.35 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 100' ' ' TYR . 54.6 p90 -114.35 132.68 56.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 96' ' ' SER . 20.6 mt -53.79 158.1 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -67.9 -32.44 77.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -34.34 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -47.84 83.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 8.3 tp -60.19 -50.59 73.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB1' ' A' ' 59' ' ' ALA . 38.1 t -51.05 -73.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.21 -42.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 89.7 t90 -61.53 -67.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 16.3 mt -37.79 -47.9 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 56' ' ' ARG . 43.8 mt -63.54 -57.31 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -54.2 -28.63 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 67.4 m -79.29 -13.27 59.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 24.3 t-20 81.13 21.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 17.2 m-85 -91.24 -21.43 21.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.81 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.89 -37.29 9.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.9 159.05 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.85 -34.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -61.69 -67.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -41.34 -44.28 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.834 ' HB1' ' HA ' ' A' ' 44' ' ' VAL . . . -62.62 -44.2 96.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 56' ' ' ARG . 37.8 t -57.94 -40.45 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.56 -41.89 65.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.65 -29.61 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.89 -59.04 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 p -54.11 -34.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.7 -36.97 82.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.0 mt -69.58 -49.21 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.967 ' HG3' HD12 ' A' ' 72' ' ' LEU . 17.4 mtm -54.31 -40.37 67.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -48.47 73.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 3.6 mm-40 -60.62 -12.61 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 2.3 t-20 85.83 41.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.9 m-85 -108.56 -23.79 11.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.967 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.4 172.87 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.56 ' NE ' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.85 155.05 32.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.444 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.01 133.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.478 HG11 HG21 ' A' ' 37' ' ' THR . 85.1 t -123.46 157.93 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.05 164.83 2.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 m -50.63 -43.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CD ' ' HB ' ' A' ' 97' ' ' THR . 29.4 mmt180 -66.51 -178.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 1.6 p 69.48 -61.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.56 ' HA ' HD11 ' A' ' 83' ' ' ILE . 3.3 mtt -47.43 112.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -132.62 70.53 0.52 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 87.08 -41.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.241 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.7 mm 66.29 -140.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.545 ' H ' HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER 70.86 105.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -68.84 65.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.969 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 84' ' ' ARG . . . -82.08 -109.59 0.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -87.7 171.98 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.71 -56.64 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 48.66 -174.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 92' ' ' PHE . 11.5 pt-20 -137.17 19.33 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -36.77 96.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 43.8 t80 -178.37 159.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.48 ' O ' ' CE2' ' A' ' 92' ' ' PHE . 9.4 mt -126.32 164.03 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -129.07 65.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.04 -175.24 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.779 ' O ' HD22 ' A' ' 39' ' ' LEU . 72.4 m -72.79 -35.42 67.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.443 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 76.0 p -84.73 73.81 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -175.98 75.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 39' ' ' LEU . 2.0 mm? -68.82 166.17 18.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 44.2 m-85 -168.42 138.44 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.56 HG23 ' NE ' ' A' ' 73' ' ' ARG . 13.9 t -129.31 163.68 25.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -77.91 129.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . . . -70.4 -175.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -55.49 -21.5 16.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.582 ' O ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER 51.04 100.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 105' ' ' SER . 50.9 p90 40.56 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' O ' ' CD2' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -54.06 118.78 4.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.47 132.01 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.442 ' C ' HG23 ' A' ' 110' ' ' VAL . 1.6 pttt -68.76 117.65 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.442 HG23 ' C ' ' A' ' 109' ' ' LYS . 91.7 t -154.1 128.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.61 96.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 82.9 p -178.54 151.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.62 109.71 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -176.45 132.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.43 156.01 38.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.67 97.22 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 83.96 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.3 87.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.12 136.45 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.434 1.084 . . . . 0.0 110.996 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -169.8 111.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.14 93.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.85 -127.63 2.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.1 p -39.43 -65.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 38.05 35.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.85 -40.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 12' ' ' VAL . 82.4 mt -81.26 -19.4 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -72.62 -52.18 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.638 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -62.48 -29.4 70.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.553 HG22 ' SD ' ' A' ' 15' ' ' MET . 94.4 mt -73.61 -50.47 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 8' ' ' LEU . 85.5 t -56.74 -46.5 83.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.58 -47.88 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -60.33 -42.73 96.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 34.3 mtp -67.78 -26.55 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.58 -12.68 55.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.98 167.09 11.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -113.95 -30.03 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -66.37 -69.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -100.61 4.63 43.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.39 170.73 19.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 43' ' ' LEU . 3.1 tp -40.23 156.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -130.25 88.77 46.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD3' HG23 ' A' ' 22' ' ' ILE . 18.4 Cg_endo -74.95 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 61.7 132.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.45 5.45 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -88.15 114.61 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 mtp -47.3 110.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -69.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -158.19 40.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.71 112.65 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m 64.3 147.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.556 HG22 ' H ' ' A' ' 35' ' ' LYS . 6.0 m -72.91 137.12 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -98.39 35.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.556 ' H ' HG22 ' A' ' 33' ' ' THR . 0.9 OUTLIER 54.59 -167.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -66.37 100.39 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.884 ' HB ' HD22 ' A' ' 99' ' ' LEU . 2.3 p -137.68 133.82 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 26.2 p90 -121.84 130.09 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 96' ' ' SER . 21.0 mt -44.35 157.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.04 63.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -36.07 76.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.16 94.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.45 -70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 59' ' ' ALA . 2.6 t -31.9 -66.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 t0 -41.94 -56.74 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 86.9 t90 -46.85 -62.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.02 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 43' ' ' LEU . 7.7 mt -39.75 -42.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 56' ' ' ARG . 30.7 mt -68.1 -58.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 t -52.56 -30.47 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 24.4 m -72.9 -13.26 61.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' SER . 49.6 t30 80.06 20.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 20.7 m-85 -94.63 -15.98 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.22 49.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.84 -31.7 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.9 165.61 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.7 mpt_? -41.67 -33.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.21 -69.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 61' ' ' THR . 7.5 mm-40 -39.12 -45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -61.33 -48.61 80.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.7 t -51.66 -38.35 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -77.27 -40.91 42.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.384 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.56 -32.23 73.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -69.1 -58.69 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 90' ' ' GLU . 6.9 p -54.93 -31.34 60.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.16 86.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.857 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.7 mt -68.68 -50.21 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.797 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.0 mtm -50.08 -35.94 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -45.44 65.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.3 mm-40 -61.26 -11.99 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 21.7 t30 86.93 31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.857 ' CG ' HG21 ' A' ' 12' ' ' VAL . 18.6 m-85 -98.24 -31.78 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.52 170.98 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.664 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -152.71 149.88 23.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 99' ' ' LEU . 8.1 m -88.48 149.5 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.585 ' O ' HG13 ' A' ' 77' ' ' VAL . . . -73.41 91.46 0.65 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.608 HG23 ' H ' ' A' ' 78' ' ' ARG . 8.0 m -156.55 -59.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.608 ' H ' HG23 ' A' ' 77' ' ' VAL . 11.0 tpt85 -135.48 -55.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.54 86.65 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.23 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.91 -88.23 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.05 68.04 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.0 mm -92.72 137.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.76 116.05 18.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.7 p -110.61 60.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.31 -66.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -57.2 177.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 18.54 17.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.49 171.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.407 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 15.8 mt-10 -122.63 46.7 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.01 110.02 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 93' ' ' LEU . 50.4 t80 -178.39 145.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -112.86 163.29 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.7 69.14 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.43 176.19 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.715 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.9 m -69.39 -46.45 66.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 98' ' ' ALA . 33.5 p -53.21 -71.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -38.83 126.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -121.62 167.15 13.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.442 ' CZ ' ' CD2' ' A' ' 92' ' ' PHE . 72.8 m-85 -159.92 143.8 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.664 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.1 t -124.6 -172.38 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -103.35 132.4 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -72.42 167.96 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -45.78 -27.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER 60.05 152.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.958 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' LYS . 52.8 p90 -42.02 165.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -39.45 117.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.361 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 14.1 tmtt? -177.2 128.42 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -40.6 121.85 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.7 p -172.57 136.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.62 94.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 157.34 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.34 110.06 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.55 154.73 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.75 160.49 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.35 97.96 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.137 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.52 8.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.67 139.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.14 167.7 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t 63.3 168.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.46 142.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.09 -126.33 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLY . 88.3 p 42.03 48.65 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 p -69.38 60.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . 161.37 -59.58 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 11' ' ' ILE . 85.6 mt -43.22 -31.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -44.08 69.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -66.1 -23.76 66.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 8' ' ' LEU . 70.1 mt -77.82 -43.04 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 71' ' ' PHE . 77.6 t -64.03 -43.12 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -55.75 -44.32 77.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -61.65 -43.16 99.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.598 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.5 mmm -66.73 -30.52 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -61.23 -19.13 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.654 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -89.7 165.75 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -112.65 -40.77 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 m -60.09 -67.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.6 p -90.71 -24.36 20.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -67.91 -163.53 2.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.82 178.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -153.34 92.54 3.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 m -109.11 128.08 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.0 30.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' MET . 18.2 p-10 -175.28 35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER 46.12 97.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 18.5 mm-40 -105.19 98.53 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 40.29 72.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.14 161.11 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER 60.73 80.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.963 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 m -53.73 126.79 23.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' ' 29' ' ' GLU . 19.3 m-85 -105.1 98.56 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -73.19 -76.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 37' ' ' THR . 11.5 mtpp -67.64 70.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.721 ' HB ' HD12 ' A' ' 99' ' ' LEU . 15.1 p -157.82 144.43 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 36.3 p90 -127.55 128.24 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PHE . 20.6 mt -39.92 144.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -60.39 -36.42 91.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -67.98 -42.03 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -50.36 -44.03 54.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 38' ' ' PHE . 3.3 tp -64.55 -54.69 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' A' ' 59' ' ' ALA . 63.2 t -47.5 -67.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.0 t0 -47.43 -46.55 26.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 88.1 t90 -53.43 -64.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD13 ' CB ' ' A' ' 62' ' ' LEU . 32.4 mt -41.64 -52.24 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 87.8 mt -47.7 -66.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -56.7 -28.77 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -62.84 -13.77 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.1 t30 80.74 10.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 5.2 m-30 -92.1 -16.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.2 159.1 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' OE1' ' A' ' 58' ' ' GLU . . . -104.61 -31.77 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 162.67 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.9 mtp180 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -56.2 -70.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.858 ' OE1' ' HB3' ' A' ' 54' ' ' ALA . 15.1 mt-10 -43.39 -38.08 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -69.53 -49.88 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 56' ' ' ARG . 4.3 t -42.11 -48.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -65.72 -48.69 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.737 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.1 mm? -45.47 -33.36 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.692 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -72.04 -57.61 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 p -55.08 -28.99 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.34 -42.95 78.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.914 ' HB2' HD11 ' A' ' 72' ' ' LEU . 11.0 mt -68.38 -44.03 76.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.855 ' HG3' HD12 ' A' ' 72' ' ' LEU . 8.3 mtm -58.8 -38.15 77.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.32 74.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 73.1 mm-40 -63.46 -10.09 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.2 t30 84.3 34.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.713 ' O ' HD23 ' A' ' 72' ' ' LEU . 20.4 m-85 -103.34 -6.13 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -168.73 165.03 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG3' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -147.2 153.81 45.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -75.0 138.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.91 150.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.504 ' C ' HG13 ' A' ' 77' ' ' VAL . . . -48.39 165.02 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.504 HG13 ' C ' ' A' ' 76' ' ' GLY . 0.8 OUTLIER 54.75 167.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' CD ' ' HB ' ' A' ' 97' ' ' THR . 27.8 mmt180 49.1 -91.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.1 t -59.4 -153.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.574 ' HA ' HD11 ' A' ' 83' ' ' ILE . 2.1 mtt 55.78 56.27 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.58 102.95 2.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 50.09 71.58 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.774 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 80' ' ' MET . 12.2 mm -80.67 130.57 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 134.61 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 p -108.93 57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.24 -55.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -103.94 168.96 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.68 -55.63 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 45.95 -167.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' PHE . 12.5 pt-20 -125.82 20.12 7.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -38.26 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.692 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 39.1 t80 -177.56 157.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 5.6 mt -117.74 -177.17 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.67 71.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.58 -179.31 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.8 p -93.39 21.25 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.513 ' O ' HD23 ' A' ' 99' ' ' LEU . 23.7 p -125.46 -44.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 100' ' ' TYR . . . -59.9 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.721 HD12 ' HB ' ' A' ' 37' ' ' THR . 4.2 mm? -72.86 166.63 22.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 86.4 m-85 -162.22 136.95 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.558 HG23 ' CD ' ' A' ' 73' ' ' ARG . 14.5 t -119.5 178.37 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -88.21 136.13 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 73' ' ' ARG . . . -79.5 117.04 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.41 109.62 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.419 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 0.2 OUTLIER 177.48 68.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 p90 178.39 169.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -49.37 116.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 171.8 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -110.35 175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 110' ' ' VAL . 8.1 p -105.2 112.66 39.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.29 114.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.97 149.28 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 141.18 41.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -172.85 91.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 98.0 p -167.04 136.33 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.56 -159.54 14.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.48 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.563 1.823 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.7 p -139.08 -58.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -171.7 141.77 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 61.17 168.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -79.97 172.18 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.7 -100.9 2.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 p -52.52 143.17 16.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.026 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p 174.82 -50.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -68.34 -39.02 87.85 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.4 mt -44.19 -26.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' N ' ' C ' ' A' ' 7' ' ' GLY . 1.3 t-80 -63.95 -46.66 83.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' HD2' ' CE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -66.15 -23.17 66.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 HG23 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mt -80.35 -45.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 8' ' ' LEU . 56.9 t -56.18 -50.34 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -50.87 -47.85 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.97 -48.09 82.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 19.2 mtp -63.09 -29.96 71.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CE1' ' CD2' ' A' ' 106' ' ' TYR . 5.1 m-70 -63.47 -21.31 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -83.46 170.79 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -117.13 -39.03 3.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.1 p -90.43 -24.85 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.47 -173.11 7.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 43' ' ' LEU . 1.2 tt -70.23 -178.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -153.75 94.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -59.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.96 96.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 56.27 4.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -80.27 58.54 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.02 164.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.29 -52.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -156.51 66.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 -52.33 4.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 141.28 37.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 m -107.61 82.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -48.42 158.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -106.35 107.9 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt 52.79 89.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.493 ' HB ' HD22 ' A' ' 99' ' ' LEU . 4.2 p -147.93 140.01 24.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 28.2 p90 -129.29 135.48 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.2 mt -48.05 147.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -60.94 -26.03 64.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -80.36 -38.17 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.746 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -54.1 -43.56 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD22 ' CE1' ' A' ' 38' ' ' PHE . 5.3 tp -68.06 -56.55 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.86 HG13 ' HB3' ' A' ' 59' ' ' ALA . 77.0 t -47.03 -64.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.74 -45.55 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 92.2 t90 -56.44 -67.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 62' ' ' LEU . 13.1 mt -37.62 -45.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 56' ' ' ARG . 59.1 mt -62.6 -55.54 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -57.5 -30.83 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 9.1 m -72.62 -13.56 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' SER . 38.9 t30 80.73 18.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 15.9 m-85 -88.5 -25.15 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.61 159.39 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.815 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.8 -31.12 10.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' LEU . 6.8 t -144.03 157.89 44.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -38.5 -32.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -68.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.815 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 28.8 mt-10 -42.02 -31.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -79.5 -44.96 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 56' ' ' ARG . 40.6 t -53.24 -44.26 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -43.58 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -55.22 -38.39 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -65.38 -57.75 7.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -53.07 -31.76 43.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.944 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.465 ' HB3' HD11 ' A' ' 8' ' ' LEU . 1.3 mtm -65.56 -45.82 81.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.729 ' CB ' HD21 ' A' ' 72' ' ' LEU . 5.4 mt -60.33 -46.06 91.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.885 ' CG ' HD12 ' A' ' 72' ' ' LEU . 20.5 mtm -56.58 -43.34 79.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -47.55 85.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.5 mm-40 -61.98 -12.21 17.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 31.9 t30 85.16 36.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 18.2 m-85 -103.51 -18.33 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.885 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -158.37 169.69 23.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.605 ' NH1' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -145.83 156.98 51.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.4 Cg_endo -74.99 132.35 15.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -130.32 162.06 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . 86.11 166.74 42.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 m -71.95 -31.32 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.78 -62.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' CG ' ' A' ' 80' ' ' MET . 8.1 t -72.0 -168.79 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.835 ' HA ' HD11 ' A' ' 83' ' ' ILE . 1.5 ptp 41.51 -163.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 129.24 -32.6 3.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . -166.15 -47.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.1 mp 40.53 -127.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.52 ' H ' HG22 ' A' ' 83' ' ' ILE . 22.1 mmt180 63.7 17.12 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.52 79.59 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' ASP . . . -56.92 -109.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 89' ' ' ALA . 3.6 p-10 39.0 -157.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 25.4 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . . . -53.64 175.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' PHE . 10.6 mt-10 -135.73 46.82 2.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 77.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 100' ' ' TYR . 27.0 t80 -156.5 172.83 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.0 mt -141.7 173.77 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.0 74.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.93 -177.54 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -92.56 31.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 p -134.15 -51.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -46.27 123.19 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD22 ' HB ' ' A' ' 37' ' ' THR . 11.1 mt -108.8 144.9 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 92' ' ' PHE . 66.7 m-85 -145.22 138.67 26.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' NH1' ' A' ' 73' ' ' ARG . 8.6 t -127.59 165.84 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' O ' ' NH1' ' A' ' 73' ' ' ARG . 69.4 m-85 -82.77 127.34 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 73' ' ' ARG . . . -71.25 149.1 46.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 105' ' ' SER . 5.3 mt-10 79.97 -52.05 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 104' ' ' GLU . 1.4 m 80.69 153.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.522 ' CD2' ' CE1' ' A' ' 16' ' ' HIS . 8.4 p90 -151.71 -170.02 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -50.07 100.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.2 84.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -72.61 144.22 47.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.9 t -142.5 122.38 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.22 155.27 16.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 157.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.14 150.17 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -179.99 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.7 p -42.51 159.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -174.49 152.25 14.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.58 6.68 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.56 148.63 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.02 88.24 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m 60.61 162.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.4 -156.66 15.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -76.22 57.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -72.73 -14.18 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.5 -27.01 33.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 11' ' ' ILE . 88.5 mt -79.15 -26.16 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.27 -47.31 86.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.49 -22.91 66.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 8' ' ' LEU . 80.6 mt -78.17 -43.01 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.756 HG21 ' CD1' ' A' ' 71' ' ' PHE . 76.2 t -63.38 -48.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -50.14 -42.19 50.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.4 tttt -63.7 -49.4 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.629 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.8 mmm -58.59 -36.32 73.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 12' ' ' VAL . 16.3 m-70 -58.01 -29.85 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.7 170.77 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -118.5 -41.55 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -58.99 -58.33 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.9 p -101.05 -19.74 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 14' ' ' LYS . . . -72.26 -173.0 20.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tt -67.28 -178.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -148.35 91.29 4.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -64.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.28 169.75 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 63.52 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -72.33 125.68 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.61 132.87 38.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -108.79 -55.43 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -143.91 -65.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.64 -58.63 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.57 117.87 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' LYS . 95.3 m-85 -62.81 83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -46.73 -26.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.651 ' C ' HG23 ' A' ' 37' ' ' THR . 11.3 mtmm -105.92 -169.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.812 ' OG1' HD22 ' A' ' 99' ' ' LEU . 1.1 p 63.28 -174.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.609 ' HE1' HD22 ' A' ' 43' ' ' LEU . 6.9 p90 -176.39 132.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 96' ' ' SER . 11.1 mt -39.71 140.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -59.76 -31.8 72.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -68.18 -38.38 81.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -34.95 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HE1' ' A' ' 38' ' ' PHE . 6.0 tp -74.65 -45.82 42.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 59' ' ' ALA . 43.4 t -56.13 -67.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.646 ' HA ' HD12 ' A' ' 48' ' ' ILE . 20.5 t0 -44.06 -37.84 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 83.3 t90 -63.86 -68.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 62' ' ' LEU . 37.5 mt -39.74 -34.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 45' ' ' ASP . 83.3 mt -67.01 -54.67 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' TRP . 12.5 t -69.89 -18.0 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 58.9 m -73.49 -14.13 61.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.8 t30 82.62 8.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE2' HG12 ' A' ' 11' ' ' ILE . 4.6 m-30 -92.49 -17.26 24.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.69 151.3 50.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.77 -24.99 14.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.67 166.41 32.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -41.31 -34.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -59.1 -74.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 62' ' ' LEU . 29.5 mm-40 -39.91 -41.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.89 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -62.85 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' ARG . 13.6 t -49.87 -41.34 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -45.85 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.2 mm? -49.87 -32.11 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.62 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -73.52 -57.53 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -55.23 -23.08 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 72' ' ' LEU . 10.2 mt -69.85 -44.9 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.852 ' CG ' HD12 ' A' ' 72' ' ' LEU . 12.6 mtm -55.9 -38.69 70.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -44.26 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -64.8 -8.46 15.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.918 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.9 OUTLIER 82.2 28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 14.9 m-85 -92.64 -29.83 15.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.852 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -143.01 170.7 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -155.12 151.85 23.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' HB2' ' CA ' ' A' ' 80' ' ' MET . 18.2 Cg_endo -75.08 143.32 28.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 76' ' ' GLY . 1.5 t -101.03 176.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.73 ' O ' HG22 ' A' ' 77' ' ' VAL . . . -42.58 169.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 76' ' ' GLY . 10.9 m 50.21 -152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.563 ' O ' ' CB ' ' A' ' 79' ' ' SER . 4.6 mmt180 -36.5 153.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.579 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 m 90.32 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.469 ' CA ' ' HB2' ' A' ' 74' ' ' PRO . 1.1 ppp? -92.33 171.04 9.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.46 ' N ' ' SD ' ' A' ' 80' ' ' MET . . . 122.26 -92.13 0.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.53 68.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.839 HG23 ' HG3' ' A' ' 91' ' ' GLN . 2.3 mp -83.57 132.78 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.84 115.4 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 m -108.56 58.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.17 -56.84 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.11 179.54 6.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.15 -44.45 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.81 -170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' PHE . 10.5 pt-20 -127.44 23.98 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.839 ' HG3' HG23 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -39.54 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 13.0 t80 -179.65 164.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 -175.11 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.83 69.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.01 -171.49 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.812 ' O ' HD22 ' A' ' 39' ' ' LEU . 13.1 m -87.86 -24.3 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 98' ' ' ALA . 11.4 p -71.47 -63.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.28 135.54 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.812 HD22 ' OG1' ' A' ' 37' ' ' THR . 5.1 mt -127.93 158.22 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.61 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 90.1 m-85 -162.59 131.02 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 73' ' ' ARG . 9.1 t -113.18 -159.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.449 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 16.4 m-85 -107.61 132.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -77.17 163.23 26.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.75 105.32 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.06 -160.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -51.9 173.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -41.06 111.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.517 ' O ' HG12 ' A' ' 110' ' ' VAL . 14.5 tmtt? -173.56 132.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.8 125.4 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 108' ' ' LYS . 3.5 p -163.62 -43.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 m 55.07 170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.2 m -136.18 -65.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -137.0 177.93 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.41 165.6 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.16 128.98 14.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.05 176.28 31.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.29 6.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 p -165.29 168.56 16.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.5 p -174.85 170.03 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 111.043 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.6 161.17 41.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -98.21 -83.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.32 78.11 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -110.21 26.84 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -52.97 17.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' ILE . . . -89.44 -37.67 6.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 66' ' ' LEU . 6.7 mp -51.87 -62.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -40.89 -30.63 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -87.91 -41.14 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -66.43 -55.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 71' ' ' PHE . 57.4 t -41.17 -52.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.87 -47.69 51.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.3 tttp -61.84 -53.36 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.614 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 3.0 mmm -55.39 -33.13 63.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.13 -17.19 57.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.73 156.67 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -109.07 -15.07 14.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -68.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.4 p -92.19 -6.99 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.83 -166.21 42.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.1 178.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -149.54 91.61 4.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -75.07 137.51 21.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -133.19 158.08 76.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.05 139.11 23.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -116.9 -39.43 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.96 109.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -132.89 116.64 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.64 -68.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.54 -72.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.87 152.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -127.74 118.17 23.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.616 ' HB3' HG21 ' A' ' 37' ' ' THR . 23.6 m-85 -95.64 98.06 10.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -78.56 -68.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 59.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 101' ' ' THR . 15.3 p -145.06 148.53 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 100' ' ' TYR . 43.8 p90 -129.58 135.74 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 96' ' ' SER . 40.2 mt -52.3 152.87 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 100' ' ' TYR . . . -60.72 -36.33 91.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -70.38 -39.05 74.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -51.69 -40.46 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 43' ' ' LEU . 5.8 tp -67.98 -51.75 43.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.966 HG13 ' HB3' ' A' ' 59' ' ' ALA . 89.1 t -51.57 -63.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -50.42 -44.04 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CH2' ' HG2' ' A' ' 15' ' ' MET . 91.9 t90 -56.81 -67.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' TRP . 27.6 mt -38.11 -50.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 56' ' ' ARG . 44.3 mt -61.33 -57.51 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 t -54.71 -25.52 27.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 30.2 m -83.8 -9.12 59.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' SER . 52.1 t30 78.25 19.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 11' ' ' ILE . 14.6 m-85 -88.8 -21.73 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.42 154.65 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.88 -35.39 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -146.05 160.76 41.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.64 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -38.79 -35.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -60.37 -68.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -42.41 -41.49 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.966 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -64.4 -43.96 92.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 56' ' ' ARG . 24.1 t -56.54 -41.48 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -43.25 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -62.98 -32.18 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -70.99 -57.94 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 p -51.34 -31.19 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.622 ' HB3' HD21 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.42 -52.82 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.1 mt -51.42 -49.0 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.835 ' CG ' HD12 ' A' ' 72' ' ' LEU . 22.7 mtm -53.85 -50.26 66.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -53.58 -47.3 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 8' ' ' LEU . 16.6 mm-40 -61.34 -12.37 13.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.641 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.0 t-20 84.22 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 17.7 m-85 -95.53 -26.31 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -149.19 172.06 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -153.05 155.97 32.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' SD ' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.98 143.82 29.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 76' ' ' GLY . 21.1 t -137.95 171.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.541 ' N ' HG12 ' A' ' 75' ' ' VAL . . . 90.5 -89.51 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER 177.82 -49.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' N ' ' CG1' ' A' ' 77' ' ' VAL . 28.3 mmt180 -40.3 -30.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 80' ' ' MET . 4.5 t -111.36 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.746 ' HA ' HD11 ' A' ' 83' ' ' ILE . 0.5 OUTLIER 37.89 -159.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.37 -23.98 32.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.84 -76.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 80' ' ' MET . 2.2 mp 63.2 143.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -120.14 81.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -80.65 71.83 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.73 -53.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -83.52 -176.8 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.16 20.15 5.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.83 158.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.82 55.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -76.37 112.36 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD2' ' CE2' ' A' ' 100' ' ' TYR . 40.7 t80 -178.96 132.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -103.16 158.45 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.75 69.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 165.7 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.873 ' O ' HD22 ' A' ' 39' ' ' LEU . 5.8 m -65.04 -44.22 89.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.422 ' CB ' ' HG3' ' A' ' 78' ' ' ARG . 21.4 p -52.39 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.93 118.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 39' ' ' LEU . 1.2 mt -109.47 161.18 15.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.682 ' CE2' ' CD2' ' A' ' 92' ' ' PHE . 79.4 m-85 -147.7 142.58 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.658 ' HB ' HG22 ' A' ' 37' ' ' THR . 14.6 t -131.14 168.08 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -78.89 132.16 36.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -73.52 162.39 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.1 mm-40 -37.29 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.0 t -155.04 149.42 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 107' ' ' LYS . 10.9 p90 -93.93 175.7 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' O ' ' CD2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -41.27 153.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.95 136.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 161.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.7 t 63.35 80.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p 177.52 169.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 103.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -72.62 133.21 44.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -171.84 70.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.69 171.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.85 -123.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 140.2 25.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.0 p -100.86 87.35 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.75 167.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -164.09 154.69 15.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -151.13 173.03 14.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.78 -88.49 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -82.85 51.72 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 110.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -78.72 58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.44 -40.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 69' ' ' GLU . 75.9 mt -69.01 -55.0 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.735 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -51.27 -30.66 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 2.2 tpp180 -65.88 -12.27 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 52' ' ' PHE . 7.6 mt -109.81 -35.46 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 66' ' ' LEU . 2.1 m -64.41 -41.65 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.37 -44.95 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -34.07 74.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -72.8 -29.74 63.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -61.98 -16.1 48.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' THR . 16.9 t0 -88.71 156.22 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.9 t -115.31 -10.24 12.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m -96.88 -44.44 7.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.2 p -119.05 12.41 12.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.45 -168.51 18.6 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.14 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.39 179.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -144.29 89.9 6.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 84.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 60.7 m -73.18 135.6 79.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 25' ' ' SER . 18.3 Cg_endo -75.0 64.4 6.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.67 88.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 32' ' ' SER . 63.7 mtp -42.84 120.74 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE2' HG11 ' A' ' 77' ' ' VAL . 1.1 tt0 -97.66 71.51 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.72 78.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.81 55.99 16.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 2.2 m -164.07 166.45 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 35' ' ' LYS . 2.2 m -148.84 -49.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 32' ' ' SER . 22.0 m-85 58.54 31.4 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' H ' HG22 ' A' ' 33' ' ' THR . 0.4 OUTLIER 61.87 -169.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 120.41 12.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.571 HG22 ' HB ' ' A' ' 101' ' ' THR . 35.3 p -145.55 158.83 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 40.3 p90 -125.12 130.49 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD23 HD21 ' A' ' 99' ' ' LEU . 23.2 mt -50.1 146.65 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.86 53.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -67.0 -38.39 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 tp -64.26 -60.72 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.787 HG13 ' HB3' ' A' ' 59' ' ' ALA . 79.5 t -44.67 -59.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.58 -51.52 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 15' ' ' MET . 88.7 t90 -50.99 -66.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.049 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 11' ' ' ILE . 15.3 mt -35.78 -53.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 56' ' ' ARG . 49.2 mt -55.68 -61.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t -52.81 -28.47 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 15.4 m -72.95 -14.87 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' SER . 48.5 t30 81.62 15.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.907 ' CD2' HG23 ' A' ' 11' ' ' ILE . 19.9 m-85 -88.88 -16.94 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.59 162.66 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.878 ' HB3' ' OE2' ' A' ' 58' ' ' GLU . . . -101.78 -34.33 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 162.49 38.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -39.56 -34.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.346 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -60.52 -69.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.878 ' OE2' ' HB3' ' A' ' 54' ' ' ALA . 26.6 mt-10 -41.24 -36.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.787 ' HB3' HG13 ' A' ' 44' ' ' VAL . . . -75.96 -44.92 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 56' ' ' ARG . 25.3 t -51.7 -46.17 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -44.26 67.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -54.68 -40.99 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -62.41 -58.69 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 p -55.2 -29.52 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.731 ' HG2' HD21 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 12' ' ' VAL . 3.0 mt -70.35 -42.83 71.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.825 ' HG3' HD12 ' A' ' 72' ' ' LEU . 5.2 mtm -57.54 -37.8 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -47.44 77.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.914 ' HG3' HD12 ' A' ' 8' ' ' LEU . 35.1 mm-40 -60.57 -12.3 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.919 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 26.2 t30 85.72 25.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 69' ' ' GLU . 19.6 m-85 -88.49 -32.97 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' HG3' ' A' ' 67' ' ' MET . 0.0 OUTLIER -140.99 171.05 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -154.21 153.68 28.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 158.14 42.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.9 57.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 77' ' ' VAL . . . 46.74 -142.29 5.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 76' ' ' GLY . 10.9 m 47.05 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -37.73 -51.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.584 ' HA ' HD12 ' A' ' 93' ' ' LEU . 14.9 m -55.62 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.48 ' HA ' ' CG1' ' A' ' 83' ' ' ILE . 3.4 mtt 60.68 50.68 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.656 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -84.25 81.61 1.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . 81.34 65.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 80' ' ' MET . 35.3 mm -92.72 113.77 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 86' ' ' GLY . 5.1 mpt_? -156.21 28.02 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.53 29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 84' ' ' ARG . . . -63.13 -108.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -112.97 173.73 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 65' ' ' MET . 0.7 OUTLIER -42.24 -60.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . 45.35 -168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' PHE . 9.4 mt-10 -124.16 42.49 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' HB3' ' A' ' 89' ' ' ALA . 5.4 pm0 -63.15 79.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CE1' ' CE2' ' A' ' 100' ' ' TYR . 12.3 t80 -163.77 168.31 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 79' ' ' SER . 5.0 mt -136.24 169.76 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -133.36 70.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.26 167.64 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 39' ' ' LEU . 36.9 m -59.67 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' ALA . 3.0 p -39.62 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' THR . . . -39.19 138.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 mt -136.62 158.17 45.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 87.8 m-85 -159.78 135.76 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 73' ' ' ARG . 11.8 t -113.54 -167.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.458 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.448 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 30.6 m-85 -101.06 130.46 47.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -76.34 175.13 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 10.8 mm-40 -41.68 -29.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' GLU . 0.6 OUTLIER 60.19 148.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -37.76 154.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.33 127.14 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.57 ' O ' HG12 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -177.47 124.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.66 115.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 108' ' ' LYS . 7.8 p -174.49 142.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -45.24 124.32 4.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 p -160.86 171.25 19.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.97 173.6 16.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 60.29 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.5 p 175.99 107.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.59 153.24 6.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m -120.9 -57.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.6 p -84.39 141.53 30.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.986 . . . . . . . . 0 0 . 1 stop_ save_