data_1jeg_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 1jeg _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 p -95.36 139.68 31.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -115.76 135.85 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.234 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 p -120.06 151.34 39.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.72 134.63 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.553 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . . . -78.93 129.51 34.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -87.76 -42.21 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -114.45 177.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -106.35 72.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 65.1 t80 -80.35 122.18 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -172.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.6 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.59 134.82 13.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 24' ' ' ALA . 9.5 t -116.74 -28.55 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 23' ' ' THR . . . -131.26 147.52 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.23 -25.57 61.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.75 -22.16 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.41 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.8 pp -127.76 130.2 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.42 42.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 2.5 p90 -139.47 173.42 11.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' LYS . 53.9 m -123.22 126.32 46.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -36.09 124.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.34 -11.68 51.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.87 144.57 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.53 137.81 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -130.5 143.55 50.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -103.17 131.63 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.07 130.97 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 44.1 t -113.9 -33.19 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' B' ' 22' ' ' VAL . . . -166.13 160.96 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 42' ' ' THR . 28.0 t -104.33 147.76 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.412 ' N ' HG13 ' A' ' 41' ' ' VAL . 13.2 p -95.07 171.01 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.1 tptt -45.94 -37.0 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.72 156.49 39.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.655 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 -82.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 45' ' ' PRO . 29.7 m-80 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.6 m95 -81.74 119.43 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 85.1 m-85 -137.51 146.45 44.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.063 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.9 tttp -98.41 121.91 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.27 169.87 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 39' ' ' VAL . 13.9 mtpp -116.49 157.72 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -94.19 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -13.24 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m -85.77 -6.76 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.98 11.84 58.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -78.52 151.55 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -125.85 126.46 44.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.464 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -168.83 166.22 39.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.551 HG23 ' CE3' ' A' ' 47' ' ' TRP . 2.0 mp -94.93 147.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 pt -141.01 142.64 28.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HB2' ' OD1' ' A' ' 63' ' ' ASN . 18.5 Cg_endo -74.98 124.87 8.95 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -65.57 -25.36 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -71.68 -2.54 17.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -118.1 -2.35 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -144.0 175.08 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.05 135.69 52.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.535 ' NZ ' ' CD2' ' A' ' 48' ' ' TYR . 1.5 ttmt -95.53 110.54 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 149.97 37.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -48.99 175.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 155.72 43.07 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.415 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -50.8 135.42 23.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.507 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -85.33 94.06 8.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 0.6 OUTLIER -87.13 141.68 33.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.13 20.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 4.1 mm-40 -61.88 -13.06 21.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -57.09 -28.14 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.44 -12.94 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.422 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.6 mp -114.66 132.15 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 48.8 t -104.14 124.52 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.87 129.06 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 14.9 pt-20 -78.46 56.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.1 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.445 ' OG1' ' CG1' ' A' ' 38' ' ' ILE . 5.3 p -78.98 139.32 38.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -104.19 120.55 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 m -97.71 142.77 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' CD1' HG23 ' A' ' 35' ' ' VAL . 2.9 mm -114.1 133.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . . . -78.57 132.4 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -118.88 -39.37 2.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.452 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 31.4 m-85 -104.57 174.68 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -125.11 63.96 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.711 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -86.25 134.33 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.565 ' O ' ' CZ ' ' A' ' 20' ' ' PHE . 9.9 m-70 -72.48 -173.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.2 141.02 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 HG23 ' CD1' ' B' ' 12' ' ' LEU . 12.2 t -117.14 -32.69 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.23 147.79 48.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -16.72 50.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.467 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 mm100 -94.98 -21.73 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.61 145.73 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.5 pp -116.04 119.76 36.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.37 30.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' ' HB2' ' A' ' 16' ' ' ALA . 6.9 p90 -139.3 175.56 9.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -122.69 149.58 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.35 138.98 20.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.34 -19.7 52.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.418 1.074 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.3 m-20 -74.21 139.32 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.21 137.33 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.3 157.75 41.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 2.5 m -113.32 136.44 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CG1' ' OG1' ' A' ' 12' ' ' THR . 28.6 mm -65.68 131.39 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.203 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.9 t -112.18 -33.72 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' B' ' 22' ' ' VAL . . . -173.53 152.06 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 t -99.64 150.14 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 p -99.05 172.15 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.47 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' CG ' HG22 ' B' ' 16' ' ' THR . 0.6 OUTLIER -92.43 146.04 31.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.593 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.4 Cg_endo -74.97 156.54 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.43 1.752 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.593 ' HB3' ' O ' ' A' ' 45' ' ' PRO . 9.1 t30 75.09 -33.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE3' HG21 ' A' ' 59' ' ' ILE . 7.0 m95 -80.25 118.16 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 14.5 m-85 -145.31 139.11 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.9 ttpt -93.16 121.73 34.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.493 1.121 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -133.55 168.82 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.05 157.13 27.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 22.5 p30 -101.65 179.76 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -10.0 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.1 t -83.56 -13.49 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.07 -5.86 68.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -69.92 149.65 47.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.6 126.56 44.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -157.46 171.29 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.625 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.2 mp -97.42 145.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.2 pt -146.13 131.23 9.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.06 130.12 12.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -61.04 -12.85 13.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.39 -14.47 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.711 ' CE2' ' CG ' ' A' ' 20' ' ' PHE . 21.4 m-85 -126.06 -1.62 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 66' ' ' GLN . 4.7 p -143.77 145.56 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 65' ' ' VAL . 1.2 pt20 -110.3 155.92 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 110.48 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -74.95 151.38 39.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -47.05 174.26 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 157.0 42.92 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.568 1.825 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 1.0 OUTLIER -65.93 122.59 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.203 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.84 82.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 15.5 p -66.59 147.38 99.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.462 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -74.95 -16.79 20.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.72 -13.2 20.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -56.74 -32.14 65.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -55.59 -16.91 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.01 130.87 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 90.4 t -100.62 121.9 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.71 116.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.2 pt-20 -78.62 54.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 p -67.49 138.23 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 128.81 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 14.6 p -101.53 151.49 21.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 HD13 ' CG ' ' A' ' 68' ' ' ARG . 5.2 mp -114.4 133.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -81.55 132.12 35.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 -42.19 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 18.9 m-85 -108.17 137.96 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -87.96 115.44 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 22.7 t80 -124.66 131.68 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.488 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -68.57 178.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.66 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 141.94 19.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 24' ' ' ALA . 6.8 t -118.63 -31.15 4.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.776 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 23' ' ' THR . . . -132.5 148.05 52.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.43 -33.24 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 2.5 mt-30 -76.89 -22.04 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.7 158.32 25.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.23 145.63 57.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 141.57 26.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.99 142.38 45.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.8 p -124.07 110.1 14.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -35.71 134.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.95 -26.35 24.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.63 148.49 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.33 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 30' ' ' PHE . 18.3 mt -124.16 158.47 32.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.9 m -116.56 132.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.18 125.11 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 40.7 t -107.57 -35.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' HG12 ' B' ' 22' ' ' VAL . . . -172.2 159.4 4.82 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 42' ' ' THR . 35.7 t -103.58 152.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.418 ' N ' HG13 ' A' ' 41' ' ' VAL . 7.0 p -104.62 171.28 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -39.0 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.77 151.51 40.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' PRO . 3.8 m120 -33.15 -36.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.643 1.215 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 10.3 m95 -80.57 125.6 30.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 79.7 m-85 -141.86 144.97 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 6.0 tttm -103.29 122.43 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -137.53 169.5 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 43.3 pttt -126.3 148.96 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 1.2 m120 -86.42 176.0 8.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -8.96 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.9 t -82.49 -14.4 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.13 58.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.7 mpt_? -69.42 136.83 52.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 0.728 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.25 123.68 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.7 167.82 35.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.583 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.7 mp -95.95 143.2 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CD1' HG13 ' A' ' 65' ' ' VAL . 1.7 pp -141.86 137.63 16.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.01 129.61 12.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -63.04 -11.67 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -62.14 -11.6 15.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.9 m-85 -128.57 -0.29 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 30' ' ' PHE . 9.8 p -144.21 145.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -127.08 142.58 51.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.3 ttpt -72.19 114.93 10.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' CG ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.28 37.77 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -48.52 174.86 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 151.45 39.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.28 123.99 10.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 91.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.5 p -76.44 143.75 73.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.07 -18.4 18.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -62.75 -13.39 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -58.71 -30.3 67.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.36 -15.64 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.452 HD13 ' N ' ' B' ' 21' ' ' ILE . 4.2 mp -114.4 130.98 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 40' ' ' ALA . 86.3 t -109.36 124.41 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -66.79 117.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.1 pt-20 -78.61 56.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -79.43 134.02 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -108.54 127.45 53.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.94 147.76 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 35' ' ' VAL . 14.0 mm -116.27 128.45 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -80.68 136.6 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -116.43 -41.29 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 68.2 m-85 -110.13 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -116.72 76.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -91.75 120.87 32.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.563 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 31.3 m170 -59.37 175.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.565 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -77.41 146.3 31.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -115.57 -33.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.09 152.92 46.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.41 -36.38 66.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.215 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.429 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 37.7 mt-30 -77.79 -21.35 51.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -79.67 135.69 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -114.19 120.41 38.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.96 141.41 26.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 18.2 p90 -132.33 159.17 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LYS . 80.7 m -108.64 136.28 48.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.52 145.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.41 35.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -74.27 147.6 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.42 134.74 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.92 121.67 25.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -88.88 135.83 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.46 129.31 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.344 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 55.0 t -104.11 -35.41 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' B' ' 22' ' ' VAL . . . -169.19 146.81 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.03 155.92 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.45 ' C ' ' H ' ' A' ' 44' ' ' ASP . 1.7 p -118.73 173.97 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.95 5.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.99 161.5 38.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.586 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.98 -90.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -86.64 41.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.668 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 5.1 m95 -131.22 115.84 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.9 m-85 -143.87 152.32 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -96.6 122.1 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.63 170.04 14.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 1.5 pttm -120.42 157.71 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.02 176.75 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -11.28 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.97 -14.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.58 2.68 57.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -69.96 151.12 45.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.78 134.87 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' HD22 ' A' ' 28' ' ' LEU . . . -177.4 170.75 43.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.54 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.3 mp -96.62 146.75 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' C ' ' CZ3' ' A' ' 47' ' ' TRP . 28.8 pt -138.72 136.21 18.5 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.371 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.7 Cg_endo -74.96 116.35 4.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -55.38 -16.45 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -12.83 13.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 58.5 m-85 -128.47 0.75 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 2.2 p -143.16 145.67 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -114.53 153.99 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -100.34 114.7 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 150.36 38.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.548 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.92 176.06 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 157.23 42.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.56 153.0 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.16 87.39 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.8 p -72.3 136.96 81.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.87 14.38 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.21 -11.66 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -57.07 -25.55 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -10.82 14.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.53 131.61 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 40' ' ' ALA . 38.8 t -111.62 124.32 68.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.67 117.94 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.0 pt-20 -78.64 55.48 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 p -80.96 134.47 35.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.81 126.27 45.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 136.09 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.57 130.77 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.49 124.94 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -107.01 -43.49 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 17.5 m-85 -113.64 133.27 55.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.09 93.81 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.372 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 30.4 t80 -93.65 135.47 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 178.24 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 125.42 25.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.5 ' HB ' ' CZ ' ' A' ' 20' ' ' PHE . 5.2 t -115.88 -14.05 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.71 25.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -56.34 -28.21 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' CB ' HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.94 -20.79 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.11 136.75 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.37 121.94 32.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.76 23.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 25.2 p90 -118.73 178.1 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 4.7 m -116.18 121.21 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -44.17 138.25 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.77 -27.3 21.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 56.6 p30 -77.59 147.58 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.55 138.27 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.22 168.75 16.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 6.5 m -111.88 135.56 52.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 27.1 mm -73.23 137.83 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.4 t -104.73 -33.62 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.067 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' CB ' HG21 ' B' ' 22' ' ' VAL . . . -176.04 161.96 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -102.82 155.34 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 34.6 p -99.71 172.51 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -73.85 -20.53 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 14' ' ' GLU . 0.9 OUTLIER -91.93 153.13 43.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 170.03 21.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER 38.36 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 7.6 m95 -133.67 123.2 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.956 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CG ' ' C ' ' A' ' 47' ' ' TRP . 16.1 m-85 -152.32 140.73 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.5 ttpp -92.31 122.42 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.374 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -132.79 169.66 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.16 156.85 31.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 3.9 p30 -98.74 176.63 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -9.31 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -82.35 -13.53 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.72 -4.58 69.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -70.36 143.28 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -117.39 124.94 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.45 172.37 36.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.582 1.176 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.569 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 1.5 mp -96.44 150.33 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CD1' HG11 ' A' ' 65' ' ' VAL . 5.8 pt -146.29 132.54 9.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 122.86 7.5 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.71 -16.1 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.64 -11.74 18.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 72.4 m-85 -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG21 ' N ' ' A' ' 66' ' ' GLN . 2.5 p -144.75 145.01 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.52 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -110.65 152.43 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -99.48 114.56 27.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.08 149.75 36.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.593 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.618 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 149.43 36.7 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 4.4 pt-20 -54.56 127.74 29.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.401 ' NH2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -76.21 79.4 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 69.1 p -64.8 145.89 98.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.462 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.55 21.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 57.2 mm-40 -60.54 -13.44 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 p -56.04 -34.07 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.001 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.51 -17.95 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -115.15 130.53 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 40' ' ' ALA . 46.1 t -96.19 126.44 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 2.5 m -66.72 119.92 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.1 pt-20 -78.73 56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -67.07 138.97 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -128.46 140.39 51.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 20.3 m -98.29 151.34 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.438 ' CD1' HG23 ' A' ' 35' ' ' VAL . 14.9 mm -115.96 133.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -79.71 135.17 36.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -40.84 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 43.3 m-85 -103.16 150.6 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 91.92 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.724 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 13.6 t80 -92.34 127.9 37.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -67.81 -62.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.67 155.2 7.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -35.94 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.368 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . . . -148.54 157.12 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.41 -6.08 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.0 mt-30 -86.43 -21.02 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 16.9 p30 -79.58 176.74 9.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HG ' ' HA3' ' A' ' 58' ' ' GLY . 11.8 mt -126.69 99.34 29.84 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.08 17.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 16' ' ' ALA . 5.5 p90 -140.75 -174.28 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' LYS . 3.6 m -118.18 134.83 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.61 125.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.0 -8.1 35.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -75.55 150.76 38.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.0 137.71 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.04 149.48 52.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.224 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 2.2 m -106.83 135.25 48.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mm -66.59 129.34 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 51.9 t -113.01 -35.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' ' HE2' ' A' ' 49' ' ' LYS . . . -175.19 151.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 42' ' ' THR . 79.1 t -94.77 159.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 41' ' ' VAL . 47.2 p -111.48 167.5 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.13 -40.71 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.338 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.75 153.93 41.03 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.708 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.03 -82.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.569 ' C ' ' O ' ' A' ' 45' ' ' PRO . 17.3 m-20 -27.2 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.597 ' N ' ' O ' ' A' ' 45' ' ' PRO . 6.7 m95 -80.1 123.3 27.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.708 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 67.2 m-85 -141.2 146.22 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.2 ttpt -103.05 122.92 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -139.08 171.18 14.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -113.87 157.77 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -98.22 177.52 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -10.75 60.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 22.3 m -84.21 -14.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.93 -0.04 57.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 151.4 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.96 124.82 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -162.41 -164.03 16.49 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -109.2 151.52 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 65' ' ' VAL . 5.3 pt -146.63 129.03 7.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.1 122.61 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.71 -13.34 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -58.2 -16.23 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.5 m-85 -127.03 -1.62 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 66' ' ' GLN . 7.7 p -144.8 145.89 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -121.32 155.49 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.23 110.96 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.974 0 N-CA-C 111.022 -0.414 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 150.22 37.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.32 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 152.04 40.2 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 3.6 pt-20 -52.05 117.29 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -70.93 87.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.294 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.409 HG22 ' O ' ' B' ' 14' ' ' GLU . 2.3 p -68.21 144.72 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -20.7 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.74 -13.41 32.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -56.87 -28.59 62.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -59.56 -14.11 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.411 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.6 mp -115.38 131.63 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.9 t -110.21 132.52 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.75 117.76 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.5 pt-20 -78.64 55.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 24' ' ' GLU . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -104.56 138.2 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.67 112.33 24.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' HG22 ' A' ' 65' ' ' VAL . 8.2 m -102.6 147.98 26.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 68' ' ' ARG . 2.7 mp -116.13 139.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.29 120.57 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -96.4 -45.98 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 9.3 m-85 -109.23 139.32 44.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -74.95 88.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 12.9 t80 -90.68 129.94 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -93.26 153.53 18.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.57 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -40.31 124.9 2.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 24' ' ' ALA . 14.5 t -112.52 -26.07 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.475 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 23' ' ' THR . . . -145.46 152.34 39.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -34.29 59.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -86.4 -20.71 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 59' ' ' ILE . 25.8 t0 -54.46 169.76 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -133.6 100.0 13.89 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -75.04 133.8 16.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 25.9 p90 -139.67 179.79 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.31 131.94 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 144.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.79 -21.83 39.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.3 147.87 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 0.808 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.6 137.16 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.52 154.01 49.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.4 m -111.46 134.44 53.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.384 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.58 138.02 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.377 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 60.2 t -113.0 -33.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -175.98 160.83 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 42' ' ' THR . 88.8 t -101.92 167.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.453 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 29.4 p -120.42 168.27 11.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.72 -36.21 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -92.34 147.67 34.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.694 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.04 -79.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 m120 -33.54 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE3' HG22 ' A' ' 59' ' ' ILE . 9.5 m95 -84.69 127.05 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 108.058 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.694 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 90.0 m-85 -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.2 tttt -100.74 122.22 42.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -138.39 170.36 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 10.7 ptmt -114.75 155.67 26.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 5.6 p-10 -97.04 179.32 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 2.3 tmtm? -69.42 -11.06 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG23 ' ND2' ' A' ' 52' ' ' ASN . 1.8 t -84.18 -9.53 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.26 83.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 34.3 ttt180 -70.13 147.58 49.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -115.98 122.65 45.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 28' ' ' LEU . . . -155.77 171.49 33.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.593 HG22 ' CE3' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -97.29 146.02 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.537 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 2.2 pp -146.56 131.72 9.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.01 126.68 10.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.44 -14.25 4.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.78 -7.56 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.619 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 57.2 m-85 -127.75 -1.22 6.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 60' ' ' ILE . 15.0 p -144.12 146.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -122.45 155.44 36.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.09 110.66 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' CG ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.39 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.4 175.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.07 155.82 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -49.94 130.66 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.498 ' CZ ' ' CD2' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -81.59 89.82 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.0 OUTLIER -82.54 137.89 44.61 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.06 -22.39 14.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -64.31 -11.62 33.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.0 -27.75 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -13.41 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.424 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -114.06 131.2 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -104.06 133.15 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.35 123.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.1 pt-20 -78.2 55.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -98.38 139.39 34.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 0.785 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 118.46 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 10.5 m -98.29 140.89 31.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 108.352 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' CD1' HG22 ' A' ' 35' ' ' VAL . 8.3 mm -106.26 135.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.6 125.81 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.612 ' CE ' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -110.56 -42.99 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.612 ' CE1' ' CE ' ' A' ' 17' ' ' LYS . 7.2 m-30 -97.07 -175.27 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -119.98 72.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.635 1.21 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.7 t80 -83.3 115.74 22.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -89.24 41.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.629 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 59.69 145.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -110.75 -33.25 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.48 153.19 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.97 -24.86 59.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.507 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 tp60 -78.22 -20.57 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -77.79 -171.32 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HG ' ' CA ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -133.19 101.37 13.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CZ ' HD12 ' A' ' 60' ' ' ILE . 10.1 p90 -141.06 173.27 11.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -115.28 146.98 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 141.6 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.81 -17.59 52.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.02 144.81 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.43 138.34 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -130.09 157.67 41.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -116.12 131.39 56.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.76 132.31 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.232 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.95 -31.7 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.58 156.21 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 42' ' ' THR . 74.7 t -99.37 160.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.411 ' N ' HG12 ' A' ' 41' ' ' VAL . 5.8 p -111.0 169.76 8.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -37.3 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.08 153.06 43.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.654 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.91 -81.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 29.5 m-20 -33.04 -35.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.637 ' CE3' HG23 ' A' ' 59' ' ' ILE . 4.8 m95 -80.73 119.45 23.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.048 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 70.8 m-85 -136.63 141.85 43.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -94.15 121.89 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' HD11 ' A' ' 28' ' ' LEU . . . -135.48 171.46 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -125.2 157.82 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.5 177.42 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -10.91 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.86 -12.45 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.73 3.72 60.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.17 141.75 52.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -118.46 120.07 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -160.67 171.93 36.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.637 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.8 mp -95.41 144.75 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.596 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 4.4 tt -136.97 129.91 17.33 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.511 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 121.54 6.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.08 -16.65 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -63.0 -10.31 13.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 51.9 m-85 -125.88 -4.72 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 62' ' ' ALA . 7.4 p -144.76 146.22 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' N ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -111.05 157.2 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 113.69 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.389 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -75.02 150.4 38.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.43 175.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.93 155.13 43.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.486 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 0.4 OUTLIER -50.32 135.66 21.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -86.57 74.58 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 6.9 p -72.03 140.89 83.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -75.0 -19.88 17.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -13.19 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.403 ' CB ' ' HB ' ' A' ' 42' ' ' THR . 67.8 m -60.72 -26.14 66.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.6 -11.65 12.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.82 132.04 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.08 128.96 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -66.74 129.48 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.5 pt-20 -78.4 55.92 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 28.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -84.8 136.55 33.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 0.821 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -106.96 124.02 49.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 65' ' ' VAL . 29.5 p -107.77 141.39 39.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 35' ' ' VAL . 3.7 mm -111.07 128.39 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.398 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.7 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.579 ' HE2' ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.72 -36.76 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.579 ' CE2' ' HE2' ' A' ' 17' ' ' LYS . 60.0 m-85 -89.91 162.99 15.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -103.19 81.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 16.8 t80 -97.77 120.53 38.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' GLY . 78.3 m-70 -89.23 37.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 55.4 163.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -117.65 -34.75 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -20.91 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -77.02 -21.11 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.523 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.87 -170.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' CB ' HG23 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -132.47 99.89 15.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.78 13.61 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -140.38 -179.98 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -118.49 131.31 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' CYS . 15.9 pttp -39.69 128.74 2.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.12 -13.25 52.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -75.46 151.91 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 36' ' ' LEU . 1.1 mp -131.76 151.82 51.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -113.46 131.23 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 28.4 mm -67.79 133.51 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.0 t -110.85 -30.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.8 154.21 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.5 158.39 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -109.4 167.06 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -35.78 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.61 151.85 41.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -82.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 3.1 m120 -32.99 -35.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -81.92 119.39 23.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 58.7 m-85 -135.56 144.33 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.66 122.51 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . . . -137.3 169.95 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 3.4 pttt -119.27 157.86 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' OD1' ' CD1' ' A' ' 28' ' ' LEU . 16.9 m-20 -95.2 176.98 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -10.91 60.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.2 -13.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.74 1.72 60.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.96 118.77 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.456 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -157.78 168.44 34.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.589 1.18 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.597 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -95.56 146.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.503 HG23 ' CB ' ' A' ' 28' ' ' LEU . 1.3 pt -144.82 129.97 9.32 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.586 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 127.74 10.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.04 -15.76 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -13.25 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 11.0 m-85 -121.49 -9.08 9.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 66' ' ' GLN . 2.2 p -144.81 145.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.53 ' N ' HG23 ' A' ' 65' ' ' VAL . 1.9 pt20 -103.04 153.8 19.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 115.79 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.91 150.36 38.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.572 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.05 174.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 153.47 42.02 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.411 ' O ' HG21 ' B' ' 16' ' ' THR . 2.6 pt-20 -50.54 120.72 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 89.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.411 HG21 ' O ' ' B' ' 14' ' ' GLU . 4.2 p -75.81 136.99 69.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.47 11.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -66.02 -9.38 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -66.08 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 26' ' ' GLN . 2.7 m-85 -59.78 -13.87 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.68 131.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 75.9 t -102.32 132.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -66.79 117.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.8 pt-20 -78.67 55.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -102.98 139.37 38.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.7 111.79 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -96.69 142.25 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.8 130.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.648 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.55 136.89 36.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 -42.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 54.0 m-85 -109.53 155.33 21.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -96.42 82.65 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 20.1 t80 -78.34 119.24 21.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.13 -55.83 29.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.57 157.37 7.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -125.53 -36.75 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.68 157.63 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.21 -22.63 65.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -83.19 -13.18 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -76.45 150.93 36.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 1.5 pp -123.6 109.08 30.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.58 34.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 5.7 p90 -138.94 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.8 132.33 55.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.9 140.19 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.78 -20.18 51.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.51 151.38 37.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.63 137.77 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -130.73 153.13 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.14 125.78 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mm -67.38 134.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.1 t -112.92 -29.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -166.45 159.04 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 42' ' ' THR . 74.7 t -106.27 167.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.461 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 18.3 p -115.43 172.09 7.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -72.99 -11.01 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.6 m-20 -91.98 166.53 17.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.03 -81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.52 52.51 0.64 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 23.6 m95 -142.71 119.59 11.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 28.1 m-85 -150.99 140.16 21.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 22.2 tttp -94.11 122.0 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.71 169.65 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 157.3 30.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 11.8 p30 -100.84 179.43 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -9.85 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.7 t -82.91 -13.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.47 -3.91 69.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -70.36 145.75 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -123.85 126.33 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.21 174.77 36.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -96.45 150.53 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 14.3 pt -145.03 133.16 10.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.93 124.02 8.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.17 -17.73 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.62 -12.54 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 26.3 m-85 -126.39 -2.73 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.55 ' HB ' ' CZ ' ' A' ' 30' ' ' PHE . 2.6 p -144.16 146.22 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.45 152.93 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.91 111.99 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.66 38.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.76 174.7 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.6 Cg_endo -74.94 151.01 39.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 3.7 pt-20 -53.78 122.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.4 88.39 3.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 42.9 p -76.78 146.92 77.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.25 18.91 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.819 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 1.1 mp0 -62.53 -12.93 25.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -57.24 -30.41 64.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -57.41 -15.33 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.431 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -113.79 131.3 66.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.425 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 69.3 t -94.52 133.06 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -77.22 128.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 7.9 pt-20 -78.44 55.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 p -105.12 131.42 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -110.63 126.23 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 25.5 m -104.07 148.95 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 35' ' ' VAL . 10.5 mm -113.13 130.28 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.649 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -80.66 135.5 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.68 -43.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.6 m-85 -88.34 127.66 35.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -77.31 108.25 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.3 t80 -118.94 139.23 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -101.22 29.9 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.655 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . 65.52 141.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 t -120.22 -32.39 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.08 144.54 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.94 -27.61 61.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.483 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 14.8 mt-30 -81.66 -21.25 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.04 153.71 32.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.7 pp -122.18 117.15 29.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.93 144.62 30.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 15.1 p90 -139.66 174.16 10.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' LYS . 7.6 m -113.71 127.78 56.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.245 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' CYS . 11.8 pttt -37.26 126.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.03 -14.44 28.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 151.6 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.01 137.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -131.72 130.84 42.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -93.62 131.53 38.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.16 130.76 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' CG ' ' A' ' 51' ' ' LYS . 93.8 t -113.34 -33.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' CB ' HG11 ' B' ' 22' ' ' VAL . . . -169.32 159.85 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -104.26 158.13 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 p -102.47 172.3 6.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -43.61 -38.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.76 155.09 39.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.653 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.84 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' PRO . 5.1 m120 -31.48 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 59' ' ' ILE . 7.8 m95 -82.55 120.22 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 72.0 m-85 -136.76 144.1 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 19.9 ttpt -98.72 121.95 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.74 170.16 15.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CG ' HG23 ' A' ' 39' ' ' VAL . 11.8 mtpp -116.44 156.01 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -95.16 171.5 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -11.54 60.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.7 t -84.75 -12.66 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.97 52.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER -84.2 150.5 25.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.49 125.31 49.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.361 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' CA ' HD21 ' A' ' 28' ' ' LEU . . . -162.71 166.08 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.582 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.6 mp -96.28 150.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 6.7 pt -144.11 136.28 13.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.93 127.42 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.65 -23.05 66.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -71.56 -0.52 10.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 18' ' ' TYR . 4.1 m-85 -121.09 -8.15 9.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' A' ' 62' ' ' ALA . 1.7 m -143.95 168.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -135.86 136.45 40.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 111.44 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.6 Cg_endo -74.9 151.23 39.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.473 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -47.7 175.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 155.76 42.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -51.58 140.06 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.516 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -91.79 88.28 6.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.1 p -81.23 142.28 50.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.368 1.042 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 17.9 Cg_endo -75.08 -18.62 18.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -63.02 -12.14 23.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -60.75 -12.67 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.6 mp -115.33 132.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.443 HG11 ' CB ' ' A' ' 40' ' ' ALA . 96.5 t -103.97 124.69 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.5 128.51 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 25' ' ' GLU . 6.6 pt-20 -78.48 56.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.3 tm-20 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA3' ' CG2' ' A' ' 37' ' ' THR . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 37' ' ' THR . 80.8 p -65.35 138.13 57.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -80.81 114.59 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -100.34 135.51 41.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mm -106.93 128.76 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 139.23 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -44.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 20.2 m-85 -111.4 132.9 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -79.84 102.15 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.649 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 39.8 t80 -106.09 126.46 52.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 32.6 t-80 -71.06 167.92 18.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.643 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG ' ' A' ' 21' ' ' HIS . . . -72.33 139.47 28.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.653 1.221 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -116.84 -31.78 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.11 50.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -55.29 -36.98 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 mt-30 -77.01 -20.46 55.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -78.57 141.19 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.03 119.84 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.54 23.07 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.778 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -136.9 149.85 47.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -96.35 146.52 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 149.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.7 -26.67 11.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.01 140.34 54.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -111.47 137.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.88 143.19 49.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 46.7 m -97.98 136.66 37.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.27 135.01 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.9 t -115.15 -35.68 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -171.6 161.42 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 42' ' ' THR . 84.8 t -102.46 168.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.461 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 11.8 p -124.31 172.32 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE3' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -75.11 -15.25 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -91.86 151.38 42.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 163.4 35.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER 37.92 31.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.65 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 12.4 m95 -126.64 121.08 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 24.1 m-85 -150.66 139.86 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.8 tttm -91.9 122.08 34.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -130.7 170.06 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -122.72 157.33 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -97.58 176.93 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.85 -13.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.44 1.49 59.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.31 149.76 47.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -129.6 132.96 46.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.513 ' CA ' HD22 ' A' ' 28' ' ' LEU . . . -171.2 174.19 44.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.566 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.3 mp -98.97 146.31 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 65' ' ' VAL . 1.9 pp -145.38 134.76 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.0 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.54 -12.0 19.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -11.94 14.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 58.4 m-85 -126.9 -0.62 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 62' ' ' ALA . 1.6 p -142.89 146.08 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 154.78 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -100.4 116.9 33.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.0 Cg_endo -74.98 150.67 38.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.94 175.44 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.65 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.08 151.02 38.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -53.94 145.07 17.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.432 ' NH2' ' OG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -95.38 89.97 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 44' ' ' ASP . 1.3 p -73.99 147.38 86.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.454 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -21.28 16.15 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.513 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.65 -12.24 32.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.432 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 15.8 p -59.18 -30.19 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -56.24 -16.12 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.01 130.93 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 28.3 t -105.95 120.8 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 43' ' ' LYS . 1.1 m -66.61 129.44 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.9 pt-20 -78.19 56.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.4 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.208 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -89.92 139.46 30.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.455 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.85 127.6 44.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.212 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.3 m -100.59 156.38 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.4 mm -119.24 133.59 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.78 126.74 31.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 -44.39 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 22.2 m-85 -106.35 134.31 49.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -74.32 79.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.613 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 6.1 t80 -77.6 108.98 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.94 -47.61 80.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.15 149.48 5.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 -34.17 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -132.44 144.34 50.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.13 -13.61 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.507 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.83 -15.1 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -62.98 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.582 ' CB ' ' CG2' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -134.75 98.38 13.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -140.77 177.55 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.9 m -122.99 137.3 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 108.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.68 138.36 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.29 -21.23 46.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.62 147.88 39.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.34 136.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.583 ' CD2' ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.57 157.43 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.34 128.59 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.417 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 4.5 tp -68.46 138.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.15 -35.83 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.221 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' B' ' 22' ' ' VAL . . . -176.37 161.8 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 48' ' ' TYR . 96.9 t -95.26 163.57 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 41.3 p -110.63 173.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.4 mptp? -60.53 -24.16 65.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -91.18 158.27 41.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.636 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.04 -66.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -75.87 42.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 30.2 m95 -144.93 127.98 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.636 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 80.5 m-85 -153.56 138.84 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.6 tttt -92.33 120.87 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.583 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . . . -132.04 170.39 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.6 ptmm? -123.26 157.17 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.5 175.83 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -11.68 60.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 13.8 m -84.45 -10.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.64 59.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.45 150.87 45.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.86 125.46 30.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -166.24 171.62 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.564 1.165 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -95.89 144.75 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 28' ' ' LEU . 14.7 pt -139.83 138.65 20.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.01 125.93 9.64 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.97 -19.55 44.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.91 -4.5 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.613 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 60.4 m-85 -127.2 -3.85 6.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG13 ' CD1' ' A' ' 60' ' ' ILE . 14.4 p -144.44 147.1 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.73 156.89 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.37 116.62 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.249 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.96 150.04 37.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 148.48 35.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.7 pt-20 -51.19 117.36 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -67.85 95.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -78.9 145.42 65.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -13.29 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -61.46 -12.86 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -30.66 62.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -14.99 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.444 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -114.29 132.09 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 43.3 t -93.46 124.16 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.79 117.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.53 55.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.0 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 p -84.08 139.18 32.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 135.98 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -108.26 139.15 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 108.344 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.11 129.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.09 136.3 36.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -43.1 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 25.3 m-85 -111.39 128.72 56.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -82.55 98.78 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -114.63 119.23 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 179.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.52 145.5 21.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 t -117.08 -34.45 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.69 148.64 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.64 -30.71 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 29.0 mt-30 -81.08 -22.01 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.62 149.34 31.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.84 124.75 24.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.04 29.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 17.2 p90 -134.67 166.33 23.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.4 m -112.2 127.51 55.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.71 145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.1 -25.37 25.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 38.1 m-20 -75.58 134.86 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.97 136.29 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.13 175.2 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.4 m -117.48 131.37 56.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.433 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -68.01 137.85 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.489 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 35.7 t -105.86 -33.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' CG1' ' B' ' 22' ' ' VAL . . . -174.81 162.5 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 42' ' ' THR . 20.2 t -102.66 162.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 24.1 p -106.26 172.5 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.7 OUTLIER -63.89 -35.42 80.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' B' ' 16' ' ' THR . 1.0 OUTLIER -94.07 146.98 32.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.07 163.09 35.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 12.7 t30 66.54 3.8 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.54 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.8 m95 -122.46 116.61 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD1' HG23 ' A' ' 41' ' ' VAL . 20.0 m-85 -147.58 143.67 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 30.8 ttpt -93.24 120.61 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -133.42 169.58 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HD3' ' CG2' ' A' ' 39' ' ' VAL . 11.3 mtpp -120.66 154.37 35.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -92.91 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -11.48 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.19 -10.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.06 21.15 31.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.95 153.88 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.01 128.08 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.79 167.79 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.54 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -94.84 149.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.1 pt -145.54 134.68 11.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 46' ' ' ASN . 18.3 Cg_endo -75.03 121.62 6.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.793 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -54.27 -14.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -58.89 -15.46 12.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 57.4 m-85 -128.3 0.35 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 3.2 p -143.46 146.18 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.9 156.24 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -107.55 119.52 39.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.071 -0.396 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.96 149.82 37.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.593 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.31 175.46 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.16 152.0 39.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 135.46 43.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 82.88 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 44' ' ' ASP . 11.9 p -67.01 141.42 96.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.466 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 6.2 mm-40 -61.38 -13.08 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -56.51 -30.69 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -57.75 -15.25 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.433 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -113.42 132.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 89.9 t -101.99 117.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 m -66.68 117.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.67 55.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -89.26 133.04 34.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -122.44 124.59 43.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 55.7 m -96.56 147.91 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 15' ' ' ILE . 1.5 mp -109.65 131.58 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . . . -76.0 124.02 26.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -95.94 -43.19 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 14.2 m-85 -110.21 161.37 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -96.55 84.61 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 3.5 t80 -78.11 131.73 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -90.52 26.0 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 58.9 149.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -121.75 -34.88 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.34 144.07 48.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.078 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.9 -17.19 35.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -85.22 -20.61 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.2 165.19 23.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' ASP . 12.6 mt -115.71 106.46 50.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 16' ' ' ALA . 9.4 p90 -140.57 179.07 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -122.81 144.07 49.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.84 137.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.72 -18.05 55.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -74.71 137.94 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.05 138.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mp -129.67 150.38 51.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.4 m -106.41 130.26 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 4.9 mp -69.63 134.26 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.22 -36.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.02 157.28 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 42' ' ' THR . 99.2 t -107.92 168.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.434 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 14.5 p -115.25 169.4 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' CB ' ' HB2' ' B' ' 18' ' ' GLU . 7.7 tptp -45.33 -35.9 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.36 154.55 42.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.668 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.97 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 12.1 m120 -33.37 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE3' HG23 ' A' ' 59' ' ' ILE . 7.0 m95 -80.56 121.09 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 63.4 m-85 -138.62 145.47 40.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 1.173 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 2.1 ttmm -99.51 122.99 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -135.44 170.37 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 57' ' ' GLU . 26.6 mtmt -117.57 158.13 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -98.15 169.54 9.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -11.28 60.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -84.1 -12.87 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.37 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.95 34.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.5 mmt180 -82.24 152.04 26.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 1.4 pt-20 -136.41 129.32 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.187 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.437 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -172.92 -163.76 27.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.595 HG23 ' CE3' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -108.22 151.39 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 21.2 pt -143.33 129.46 10.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 122.27 7.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.557 1.819 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.82 -20.36 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.36 -7.16 17.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 28.9 m-85 -125.28 -5.65 7.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.504 ' O ' ' O ' ' A' ' 62' ' ' ALA . 7.6 p -144.66 149.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.48 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -115.33 160.07 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -93.97 114.95 27.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 150.69 38.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.85 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 155.11 42.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.418 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 2.1 pt-20 -52.53 137.83 29.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.525 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -88.33 86.6 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.2 p -81.32 144.04 53.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.492 ' HB2' ' CB ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -62.08 -13.03 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p -58.51 -31.58 68.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 13.8 t80 -55.8 -16.87 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.417 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.7 mp -112.09 131.61 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -103.51 125.27 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.65 117.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.8 pt-20 -78.65 55.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -85.5 139.39 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -106.71 131.01 54.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.4 p -115.58 151.67 34.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 15' ' ' ILE . 4.5 mp -117.05 135.6 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -79.18 125.24 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.4 -43.6 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.498 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 51.5 m-85 -97.32 130.53 44.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -75.48 109.28 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' HB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -108.89 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -91.04 29.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 135.39 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.58 ' HB ' ' CE1' ' A' ' 20' ' ' PHE . 8.0 t -114.42 -29.64 6.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.441 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.63 151.73 49.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.85 -28.23 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.459 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 38.4 mt-30 -81.88 -19.51 40.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.63 158.31 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 2.3 pp -126.7 112.56 22.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.4 30.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.5 -171.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LYS . 51.5 m -122.07 129.06 52.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' CYS . 12.2 pttt -39.14 130.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.32 -18.2 30.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -75.63 145.84 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.93 137.83 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 28' ' ' LEU . 3.9 mp -130.81 142.01 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -96.54 127.03 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.33 136.96 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 78.5 t -113.79 -33.88 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' B' ' 22' ' ' VAL . . . -166.51 161.54 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.1 152.77 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 18.2 p -98.23 173.81 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -14.36 62.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.545 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.7 m-20 -91.9 166.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.97 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -75.05 49.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.4 m95 -142.53 121.94 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.058 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 37.0 m-85 -151.33 139.3 20.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.6 tttm -90.63 121.64 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' THR . . . -128.88 170.68 13.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -120.73 157.58 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -91.98 172.57 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -12.21 61.33 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.461 1.101 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.3 m -85.78 -13.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.75 13.83 36.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -76.27 150.54 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.12 121.42 34.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.13 169.89 39.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.597 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.9 mp -95.88 151.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 10.7 pt -143.85 131.99 10.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 122.44 7.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.19 -21.4 59.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -71.24 -1.03 11.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 10.7 m-85 -126.42 -1.73 6.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.493 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -144.18 162.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.24 133.84 55.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.33 111.9 20.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.16 37.94 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.15 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.604 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 149.48 36.74 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.55 125.14 21.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.473 ' NH2' ' HG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -72.03 85.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.42 HG22 ' CG ' ' A' ' 44' ' ' ASP . 14.3 p -66.37 147.34 98.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.53 20.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.28 -12.32 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.473 ' HG ' ' NH2' ' B' ' 15' ' ' ARG . 10.7 p -56.39 -30.91 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -57.89 -15.73 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.424 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -115.48 131.04 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 40' ' ' ALA . 20.5 t -90.78 122.19 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -65.19 123.71 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.8 pt-20 -78.27 54.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.8 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 p -92.43 139.77 30.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.1 132.06 56.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.45 149.79 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.91 131.97 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -78.73 136.58 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -43.6 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 17.1 m-85 -112.05 128.54 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -74.6 100.49 3.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 39.3 t80 -102.7 176.97 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.426 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -114.17 -80.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.639 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.52 161.15 10.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.458 ' CG2' HD13 ' B' ' 12' ' ' LEU . 4.0 p -114.62 -38.13 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.5 158.01 16.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -68.13 -10.16 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.524 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -97.04 -14.28 21.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 5.0 m-20 -76.03 130.17 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -120.38 119.39 30.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' HIS . 18.3 Cg_endo -74.99 155.21 42.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 7.6 p90 -122.41 -179.73 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.52 131.64 56.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.277 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 133.19 9.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.77 -15.38 63.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -75.76 151.34 37.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.58 138.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -129.55 150.35 50.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 2.8 m -107.37 135.74 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 tp -68.99 135.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.6 t -113.26 -34.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.96 161.14 2.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.67 160.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -112.97 171.45 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 110.456 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -76.13 -4.46 41.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' ' OG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER -100.05 157.64 33.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 158.46 42.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 0.1 OUTLIER 33.5 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.9 m95 -129.8 116.95 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.05 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 46' ' ' ASN . 1.4 m-85 -149.2 148.22 29.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.1 ttpt -93.27 122.28 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -131.85 170.16 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.94 157.39 34.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -95.95 174.28 7.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -10.97 60.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.33 -13.29 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 4.79 56.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.29 148.0 49.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.89 130.65 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.412 ' N ' HD21 ' A' ' 28' ' ' LEU . . . -178.11 173.68 46.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.524 ' CD1' ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.03 147.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 32.9 pt -136.63 131.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.554 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.63 -17.11 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -11.06 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.4 m-85 -127.06 -1.27 6.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' O ' ' O ' ' A' ' 62' ' ' ALA . 2.7 p -142.93 145.26 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.443 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -110.66 154.67 23.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.35 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.92 115.48 27.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.819 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 150.56 38.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.559 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.25 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 153.72 41.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 8.1 pm0 -53.37 144.36 16.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 70.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.526 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 80.7 p -66.06 147.32 98.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -11.8 21.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 2.7 mp0 -62.93 -11.79 20.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -59.34 -29.68 67.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.407 ' CD2' HD12 ' B' ' 21' ' ' ILE . 28.4 t80 -57.66 -14.64 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.407 HD12 ' CD2' ' B' ' 20' ' ' PHE . 3.5 mp -113.63 130.79 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.49 125.55 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 m -66.84 116.84 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.6 pt-20 -78.65 56.19 1.8 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 24' ' ' GLU . 19.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -103.37 139.66 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.45 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -104.37 130.96 52.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -107.6 148.52 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 35' ' ' VAL . 40.2 mm -110.57 132.06 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.613 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.17 125.71 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -44.75 3.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 54.1 m-85 -104.05 132.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.29 95.92 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 4.5 t80 -86.28 136.78 33.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -53.66 6.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.654 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.99 137.78 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -120.27 -31.36 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.8 143.53 50.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -19.97 49.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 31.5 mt-30 -82.97 -21.83 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.02 146.88 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.9 pp -117.42 113.45 38.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.54 33.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 5.4 p90 -139.24 -176.26 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -122.71 133.6 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.39 135.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.43 -15.3 58.92 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.47 144.86 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.98 135.91 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 52' ' ' ASN . 3.0 mm? -125.67 160.13 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.4 m -115.19 128.46 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.71 131.62 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 77.3 t -114.24 -34.8 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -166.92 161.19 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 t -103.69 149.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 11.6 p -97.3 172.84 7.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -24.59 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -91.5 153.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.06 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.506 1.793 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' B' ' 13' ' ' PRO . 87.3 m-20 -80.82 41.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' B' ' 15' ' ' ARG . 26.5 m95 -146.95 127.04 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 91.2 m-85 -150.23 137.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.4 ttpt -95.04 120.91 36.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.392 1.057 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -132.22 170.09 15.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -119.93 150.9 39.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 3.7 m-20 -86.04 174.4 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -71.88 -11.12 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.15 -11.43 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.5 10.93 55.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -79.06 151.82 31.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -127.43 127.01 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -164.69 170.92 39.99 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.512 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -99.67 148.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 pt -143.43 141.22 18.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.06 131.09 13.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.552 1.817 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.83 -28.47 68.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -3.08 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 7.9 m-85 -120.53 -12.03 8.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.479 HG21 ' N ' ' A' ' 66' ' ' GLN . 2.5 p -145.11 145.37 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.479 ' N ' HG21 ' A' ' 65' ' ' VAL . 1.1 pt20 -109.06 154.78 21.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.5 117.08 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.06 150.54 38.07 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.34 175.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' CB ' ' A' ' 46' ' ' ASN . 18.2 Cg_endo -75.05 148.68 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.2 pt-20 -54.76 120.62 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -77.27 90.38 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 30.7 p -79.11 147.86 70.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.95 -18.84 18.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -12.36 21.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.408 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 89.6 p -56.09 -31.29 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -16.45 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 131.9 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.19 125.94 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -68.72 118.29 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.61 55.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.5 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.402 ' OG1' ' HB ' ' A' ' 38' ' ' ILE . 25.0 p -102.63 140.8 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.09 121.69 43.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 2.3 m -96.93 142.56 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' HG23 ' A' ' 65' ' ' VAL . 1.1 mp -118.73 132.15 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.99 125.18 29.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -51.39 10.34 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 8.3 p90 -143.8 -172.61 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 13.5 t-20 -73.42 150.0 42.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.624 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -124.41 -51.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 111.061 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 19.0 t60 90.8 111.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.65 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' HIS . . . -36.79 131.66 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 t -111.93 -25.68 9.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.492 0.76 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.03 147.38 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.67 -18.37 30.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' CB ' HD11 ' A' ' 59' ' ' ILE . 38.9 mt-30 -88.53 -20.51 24.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 1.6 t70 -78.8 156.37 28.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' HA3' ' A' ' 58' ' ' GLY . 61.2 mt -119.68 100.49 49.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.54 20.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -138.4 -174.34 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.82 152.74 39.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -47.32 141.43 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -19.55 53.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.419 1.075 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -71.61 135.28 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -112.65 139.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 30' ' ' PHE . 6.6 mp -130.05 162.78 27.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.432 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -109.08 133.59 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 ' HB ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -66.27 137.21 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 62.0 t -117.82 -35.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' B' ' 22' ' ' VAL . . . -175.45 159.61 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -97.21 164.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' B' ' 19' ' ' SER . 25.0 p -116.78 173.67 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.24 67.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -91.54 154.74 44.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.627 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.98 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -79.1 40.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 24.2 m95 -142.94 127.11 17.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 89.2 m-85 -153.01 140.62 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -93.76 122.48 36.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -134.1 168.39 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.86 155.9 30.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.216 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' ND2' HD22 ' A' ' 36' ' ' LEU . 14.5 m-80 -96.39 176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -9.96 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 56' ' ' ARG . 8.1 p -83.46 -14.38 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 -2.57 56.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -69.47 150.36 47.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 0.715 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.65 132.05 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -164.77 -161.15 13.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.578 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -111.4 150.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 59' ' ' ILE . 7.0 pt -145.95 132.65 9.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.603 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.6 Cg_endo -74.98 120.83 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.79 -15.46 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -9.48 30.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.624 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 92.0 m-85 -126.3 -2.47 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 2.2 p -144.83 145.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -111.55 154.77 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 113.37 25.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.621 1.201 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.03 150.09 37.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.595 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -50.31 115.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -66.85 91.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.414 1.071 . . . . 0.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.407 HG21 ' O ' ' B' ' 14' ' ' GLU . 1.6 p -73.29 146.15 86.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.96 20.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -15.92 58.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.479 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.9 p -56.76 -29.55 62.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.43 -14.83 8.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.437 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -114.13 131.73 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 40' ' ' ALA . 21.6 t -89.59 118.73 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -65.93 115.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.4 pt-20 -78.66 54.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -67.21 134.64 52.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' CB ' ' HD3' ' A' ' 68' ' ' ARG . 1.2 tt0 -105.23 123.47 47.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 m -96.24 137.36 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.0 mm -107.15 129.36 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . . . -80.52 120.33 24.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' CD2' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -72.45 -49.45 33.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -151.26 -169.78 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -81.74 121.89 26.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.824 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.5 t80 -99.09 110.18 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -41.61 -44.99 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.04 152.39 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -119.7 -36.08 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.409 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.91 148.15 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.4 -13.72 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -87.8 -16.99 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -61.54 -169.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 0.4 OUTLIER -134.33 100.65 12.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 133.47 16.53 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 16' ' ' ALA . 10.6 p90 -139.33 178.75 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 57.3 m -119.15 142.54 47.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 18' ' ' TYR . 1.1 pttt -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.41 -5.9 84.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 17.1 t0 -74.96 147.77 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.8 137.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.4 155.03 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -114.91 132.91 56.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.3 mm -81.72 128.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 93.7 t -104.74 -34.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.38 131.58 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 48' ' ' TYR . 29.6 t -92.36 149.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 44' ' ' ASP . 30.1 p -87.52 174.97 8.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -28.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -100.97 152.51 37.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.695 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -75.01 -63.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 26.9 m-80 -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.599 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -105.55 114.84 29.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.695 ' CD2' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -152.84 152.69 31.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.21 122.9 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.07 169.53 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HD3' ' CG2' ' A' ' 39' ' ' VAL . 16.2 mtpt -125.51 155.96 39.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -100.75 176.29 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -12.72 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 15.5 m -85.4 -8.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.77 63.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.419 1.074 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.42 148.38 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' HG2' ' A' ' 51' ' ' LYS . 1.1 mt-10 -127.87 129.58 47.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 28' ' ' LEU . . . -174.98 171.03 44.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.524 HG21 ' CE3' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -96.7 146.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 28' ' ' LEU . 49.1 pt -135.2 128.43 18.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.538 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.97 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.553 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -60.35 -18.96 53.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' OH ' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -65.57 -10.11 32.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.9 m-85 -126.53 -3.55 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -144.86 155.58 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.82 131.78 49.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 109.07 6.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 14.1 ptt180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.5 38.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.599 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 152.31 40.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -51.67 126.23 17.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.07 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 88.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -73.15 140.51 80.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.483 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -23.68 13.49 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.418 1.746 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.16 -12.31 19.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.427 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -57.0 -31.23 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -55.54 -15.85 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.414 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -115.13 129.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.98 139.2 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -67.81 128.4 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.37 56.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 38' ' ' ILE . 3.0 p -105.01 140.6 37.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 0.718 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.87 112.1 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 133.58 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 35' ' ' VAL . 10.1 mm -107.24 130.88 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . . . -77.54 128.37 34.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -42.32 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 45.3 m-85 -102.02 170.47 8.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -112.06 74.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 2.6 t80 -80.83 126.97 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -91.04 34.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' CA ' ' OD1' ' A' ' 27' ' ' ASP . . . 58.57 150.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 24' ' ' ALA . 7.0 t -124.45 -34.0 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 23' ' ' THR . . . -114.05 149.71 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.3 -36.5 71.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.349 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.486 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 mm-40 -72.61 -21.41 61.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CA ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -79.95 151.24 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 58' ' ' GLY . 2.3 pp -122.93 121.89 27.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 146.65 32.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 25.1 p90 -139.17 154.25 48.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.6 m -94.83 122.29 37.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.85 146.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.082 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 -24.71 28.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 31' ' ' CYS . 3.6 p-10 -75.19 155.72 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.78 139.29 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -128.2 139.04 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -101.82 134.49 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.419 ' HB ' ' OG1' ' A' ' 12' ' ' THR . 1.1 mp -65.87 133.74 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.8 t -106.7 -32.34 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' CB ' HG13 ' B' ' 22' ' ' VAL . . . -174.1 150.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.87 159.81 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 44' ' ' ASP . 2.8 p -123.01 173.72 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.55 5.5 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.619 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.61 161.33 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.578 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.99 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -87.0 41.95 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.67 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 4.4 m95 -130.95 115.88 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.7 m-85 -143.95 151.09 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.4 tttt -95.85 121.65 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.17 169.58 15.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 48.9 pttt -119.42 157.19 28.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -100.49 179.45 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HE2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.07 -10.66 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG2' ' HE2' ' A' ' 53' ' ' LYS . 46.8 t -83.67 -11.83 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.26 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -71.13 149.06 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.231 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' A' ' 51' ' ' LYS . 11.1 mp0 -119.55 128.24 53.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.427 ' N ' HD22 ' A' ' 28' ' ' LEU . . . -166.23 170.55 40.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.558 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.1 mp -96.56 146.45 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.2 pt -137.7 136.11 19.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.08 122.72 7.35 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.56 -18.21 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.95 -8.43 22.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.689 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 19.5 m-85 -127.1 -1.59 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 62' ' ' ALA . 6.2 p -143.87 146.63 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' N ' HG23 ' A' ' 65' ' ' VAL . 1.9 pt20 -113.93 157.23 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.42 114.62 28.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.28 176.21 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.67 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -58.55 150.56 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 91.79 7.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.448 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p -78.24 138.02 60.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -21.24 16.21 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.38 -11.89 18.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -57.06 -27.9 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -61.43 -15.59 38.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.43 ' N ' HD12 ' B' ' 21' ' ' ILE . 4.0 mp -115.95 131.52 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.434 HG13 ' CB ' ' A' ' 40' ' ' ALA . 42.8 t -105.08 119.75 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -66.74 139.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 22.0 mt-10 -86.53 54.32 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.1 p -78.93 139.13 38.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.68 128.94 50.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.03 137.79 34.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mm -109.44 133.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -80.09 122.86 27.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -105.56 -43.25 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 29.8 m-85 -114.15 161.46 17.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.45 104.27 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.75 125.68 45.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -76.68 145.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.0 147.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -114.68 -29.86 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.25 153.24 50.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.77 -33.55 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 1.9 tp60 -81.16 -15.8 54.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.072 . . . . 0.0 110.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -80.37 176.94 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 85.5 mt -134.23 138.97 31.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.078 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 137.61 22.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -117.21 139.23 51.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.0 t -125.89 114.3 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.382 1.051 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -32.14 130.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 -19.58 54.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.06 140.4 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.95 139.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.655 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mp -129.63 165.85 20.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 3.0 m -112.76 134.17 54.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.12 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 94.8 t -115.84 -35.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.3 161.27 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.21 170.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -121.51 172.48 8.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -66.27 -21.71 66.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 5.9 m-20 -92.13 160.66 35.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.592 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.94 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -79.35 47.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.573 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.9 m95 -145.64 125.29 13.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 107.975 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 73.9 m-85 -152.58 143.5 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -93.61 121.98 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -138.15 171.0 15.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.39 1.056 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.8 pttt -119.56 157.98 27.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 11.4 m120 -99.02 177.43 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -72.35 -12.24 61.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 2.3 m -83.43 -8.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 3.3 62.73 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.69 148.96 48.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -137.3 130.76 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.431 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -177.34 -167.25 35.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.533 HG21 ' CE3' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -103.48 149.9 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -143.12 142.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.92 116.88 4.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -64.24 -11.43 31.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.56 -10.77 13.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 26.4 m-85 -126.95 -0.97 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 p -143.69 145.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -125.12 150.97 46.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.27 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 109.27 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 110.323 -179.986 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.88 150.56 38.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.71 174.34 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 150.92 39.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -56.01 116.86 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.123 . . . . 0.0 110.392 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -65.44 87.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 14' ' ' GLU . 4.4 p -66.66 148.9 98.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.31 20.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 14.5 mt-10 -61.65 -13.61 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -56.93 -31.32 64.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -16.09 6.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.62 130.54 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -89.83 134.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.02 117.72 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.56 55.33 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 73.6 p -84.71 137.98 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 0.826 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -108.91 126.66 53.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.11 145.1 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mm -112.4 132.06 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.26 127.67 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -45.19 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 33.6 m-85 -101.91 134.72 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.659 ' ND2' ' HZ1' ' A' ' 32' ' ' LYS . 45.4 t30 -74.16 79.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 5.0 t80 -78.07 97.04 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -47.33 -48.48 25.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.38 151.33 5.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -116.4 -34.94 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -151.47 151.95 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -63.04 -11.58 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -83.16 -21.3 33.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -78.24 -167.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' CB ' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.23 99.08 14.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 4.2 p90 -140.29 -176.03 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -122.72 134.55 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 108.348 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.659 ' HZ1' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -42.39 134.13 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.6 58.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -75.31 143.99 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.67 137.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.67 159.84 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 3.5 m -108.55 134.38 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.51 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 1.9 tp -66.63 136.89 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 19.7 t -109.94 -36.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' B' ' 22' ' ' VAL . . . -176.98 159.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 48' ' ' TYR . 14.5 t -102.78 149.05 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -95.63 172.37 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -62.97 -33.89 76.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 148.11 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.568 ' C ' ' H ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 163.61 35.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' PRO . 5.1 t30 70.41 -39.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CE3' HG23 ' A' ' 59' ' ' ILE . 2.0 m95 -80.27 121.57 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 20.7 m-85 -148.81 144.47 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 39.9 tttt -92.62 121.32 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.505 ' CB ' HD23 ' A' ' 36' ' ' LEU . . . -136.76 169.72 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 5.1 ptmt -119.52 157.33 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -97.83 178.18 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -11.4 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 3.6 m -84.59 -13.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.09 3.12 60.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 2.0 tpt180 -70.32 150.66 46.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.34 127.38 47.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -170.01 171.95 43.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.644 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.4 mp -95.99 147.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.483 HG23 ' CB ' ' A' ' 28' ' ' LEU . 1.7 pt -141.93 129.96 11.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.2 -17.75 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 66.7 t30 -63.37 -11.29 21.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 73.5 m-85 -125.14 -4.73 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG1' HD13 ' A' ' 60' ' ' ILE . 1.5 p -145.04 146.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.15 152.64 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.57 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.8 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.06 175.47 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 156.46 43.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.57 1.826 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.1 OUTLIER -56.51 120.08 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.494 ' H ' ' NE ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -65.63 78.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 20.4 p -65.3 136.49 96.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.86 -21.66 15.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 2.0 pm0 -60.4 -11.61 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -31.8 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.84 -15.78 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.438 ' N ' HD12 ' B' ' 21' ' ' ILE . 4.0 mp -115.0 131.87 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 40' ' ' ALA . 55.5 t -99.22 133.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.89 117.16 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.67 55.52 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.903 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.505 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 70.1 p -78.36 137.71 38.16 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 0.731 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -112.01 125.23 53.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -103.33 153.61 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 15' ' ' ILE . 3.3 mp -118.6 131.77 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.64 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.88 138.93 37.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -128.74 -44.37 1.34 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 17' ' ' LYS . 2.6 m-85 -114.86 151.11 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -97.32 109.8 22.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -95.55 -48.51 5.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.8 t-80 86.86 98.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.568 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . -33.36 143.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 24' ' ' ALA . 5.5 t -118.02 -33.25 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.371 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' THR . . . -85.71 154.59 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.82 -28.28 67.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.244 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.535 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.64 -13.65 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.29 136.6 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD23 ' ND2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -117.59 129.05 25.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 150.33 37.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 3.3 p90 -139.93 162.48 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 143.71 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 147.57 4.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.53 -23.29 19.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.43 141.21 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.56 138.85 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD22 ' ND2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -129.47 153.06 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 m -107.84 135.79 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.505 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 7.3 tp -66.43 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 97.7 t -113.54 -31.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -175.56 154.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.59 155.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -107.91 169.58 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -44.55 -40.22 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 152.97 42.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.659 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.95 -79.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' PRO . 42.8 m-20 -32.98 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 4.6 m95 -82.43 116.25 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.969 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 64.8 m-85 -133.58 145.35 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -102.03 122.09 43.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.52 169.83 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.64 157.6 30.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.422 ' ND2' HD23 ' A' ' 28' ' ' LEU . 2.3 m-80 -95.68 177.31 5.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.88 60.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 56' ' ' ARG . 7.7 p -84.12 -14.16 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.6 1.57 58.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.09 140.54 52.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -116.99 122.21 43.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.01 169.09 36.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.57 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.3 mp -95.91 150.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.7 pt -145.71 131.54 9.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -75.07 120.93 6.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.33 -12.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -13.73 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.375 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 39.8 m-85 -127.48 -0.77 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.504 HG21 ' N ' ' A' ' 66' ' ' GLN . 1.4 p -143.29 145.29 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.504 ' N ' HG21 ' A' ' 65' ' ' VAL . 1.8 pt20 -106.89 153.69 22.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 113.84 27.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.981 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.048 -0.405 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 150.47 38.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 156.62 43.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.6 OUTLIER -49.01 132.95 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.485 ' CZ ' ' CD2' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.62 84.66 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.1 p -78.76 139.62 58.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.1 Cg_endo -75.06 -21.08 16.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -11.93 30.69 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.418 1.074 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -62.23 -30.04 70.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -57.67 -14.95 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.429 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -115.18 130.88 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 57.8 t -99.52 124.15 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.7 128.18 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.9 pt-20 -78.47 56.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.24 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 24' ' ' GLU . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -105.53 139.33 40.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.55 120.8 38.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 m -99.08 137.27 37.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' CD1' HG23 ' A' ' 35' ' ' VAL . 10.7 mm -106.73 130.83 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.32 134.97 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -41.42 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 89.3 m-85 -103.52 174.87 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.407 ' OD1' ' SG ' ' A' ' 31' ' ' CYS . 6.9 t-20 -112.0 95.8 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' PRO . 19.8 t80 -92.63 109.08 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.01 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.72 151.61 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -121.37 -35.09 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.418 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.93 147.91 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -18.11 39.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.513 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -74.28 -23.63 59.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -176.73 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' CD2' ' A' ' 36' ' ' LEU . 2.8 pp -134.3 128.17 19.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.35 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -142.37 164.34 30.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 50.5 m -123.03 151.58 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -50.38 147.82 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.13 -22.51 31.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.1 m-20 -73.33 140.68 46.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.65 137.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD2' HD11 ' A' ' 28' ' ' LEU . 3.6 mp -130.77 156.08 45.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.5 m -109.05 133.1 53.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.9 mm -66.6 130.57 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.4 t -110.03 -35.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.59 160.33 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 42' ' ' THR . 53.5 t -105.42 161.6 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 18.0 p -116.07 172.06 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -10.48 59.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -93.55 154.78 41.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.03 161.62 38.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER 33.65 37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.7 m95 -131.06 117.09 18.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -149.56 143.01 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 24.2 tttt -92.25 122.72 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -133.26 170.32 15.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.04 157.09 33.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -96.41 175.12 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -10.59 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.95 -13.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.66 3.21 57.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.25 143.72 52.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -123.92 122.21 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.05 171.67 41.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 2.7 mp -96.56 148.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.741 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.15 136.5 12.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.06 123.75 8.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.44 -11.95 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -9.27 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 21.1 m-85 -125.91 -7.01 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 62' ' ' ALA . 12.1 p -137.76 146.18 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.18 159.66 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -100.44 114.84 28.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.2 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.66 36.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.93 175.58 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.652 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 151.21 39.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.466 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 2.9 pm0 -54.14 147.1 13.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.215 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.598 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -98.15 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.4 p -68.5 147.08 98.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.83 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.72 -12.57 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 t -56.51 -32.07 64.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -15.81 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.21 130.94 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.1 t -98.44 126.13 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.234 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.12 117.73 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.68 55.23 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.02 -85.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 p -95.36 139.68 31.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -115.76 135.85 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.234 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 p -120.06 151.34 39.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.72 134.63 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.553 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . . . -78.93 129.51 34.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -87.76 -42.21 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -114.45 177.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -106.35 72.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 65.1 t80 -80.35 122.18 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -172.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.6 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.59 134.82 13.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 24' ' ' ALA . 9.5 t -116.74 -28.55 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 23' ' ' THR . . . -131.26 147.52 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.23 -25.57 61.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.75 -22.16 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.41 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.8 pp -127.76 130.2 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.42 42.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 2.5 p90 -139.47 173.42 11.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' LYS . 53.9 m -123.22 126.32 46.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -36.09 124.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.34 -11.68 51.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.87 144.57 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.53 137.81 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -130.5 143.55 50.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -103.17 131.63 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.07 130.97 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 44.1 t -113.9 -33.19 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' B' ' 22' ' ' VAL . . . -166.13 160.96 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 42' ' ' THR . 28.0 t -104.33 147.76 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' N ' HG13 ' A' ' 41' ' ' VAL . 13.2 p -95.07 171.01 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.1 tptt -45.94 -37.0 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.72 156.49 39.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.655 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 -82.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 45' ' ' PRO . 29.7 m-80 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.6 m95 -81.74 119.43 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 85.1 m-85 -137.51 146.45 44.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.063 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.9 tttp -98.41 121.91 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.27 169.87 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 39' ' ' VAL . 13.9 mtpp -116.49 157.72 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -94.19 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -13.24 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m -85.77 -6.76 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.98 11.84 58.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -78.52 151.55 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -125.85 126.46 44.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.464 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -168.83 166.22 39.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.551 HG23 ' CE3' ' A' ' 47' ' ' TRP . 2.0 mp -94.93 147.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 pt -141.01 142.64 28.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HB2' ' OD1' ' A' ' 63' ' ' ASN . 18.5 Cg_endo -74.98 124.87 8.95 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -65.57 -25.36 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -71.68 -2.54 17.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -118.1 -2.35 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -144.0 175.08 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.05 135.69 52.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.535 ' NZ ' ' CD2' ' A' ' 48' ' ' TYR . 1.5 ttmt -95.53 110.54 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -25.8 67.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.2 Cg_endo -75.02 174.2 13.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 149.97 37.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -48.99 175.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 155.72 43.07 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.415 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -50.8 135.42 23.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.507 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -85.33 94.06 8.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 0.6 OUTLIER -87.13 141.68 33.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.13 20.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 4.1 mm-40 -61.88 -13.06 21.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -57.09 -28.14 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.44 -12.94 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.422 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.6 mp -114.66 132.15 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 48.8 t -104.14 124.52 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.87 129.06 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 14.9 pt-20 -78.46 56.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.1 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.462 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 54.1 p . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.43 -72.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.445 ' OG1' ' CG1' ' A' ' 38' ' ' ILE . 5.3 p -78.98 139.32 38.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -104.19 120.55 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 m -97.71 142.77 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 108.334 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' CD1' HG23 ' A' ' 35' ' ' VAL . 2.9 mm -114.1 133.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . . . -78.57 132.4 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -118.88 -39.37 2.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.452 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 31.4 m-85 -104.57 174.68 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -125.11 63.96 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.711 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -86.25 134.33 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.565 ' O ' ' CZ ' ' A' ' 20' ' ' PHE . 9.9 m-70 -72.48 -173.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.2 141.02 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 HG23 ' CD1' ' B' ' 12' ' ' LEU . 12.2 t -117.14 -32.69 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.23 147.79 48.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -16.72 50.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.467 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 mm100 -94.98 -21.73 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.61 145.73 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.5 pp -116.04 119.76 36.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.37 30.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' ' HB2' ' A' ' 16' ' ' ALA . 6.9 p90 -139.3 175.56 9.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -122.69 149.58 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.35 138.98 20.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.34 -19.7 52.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.418 1.074 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.3 m-20 -74.21 139.32 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.21 137.33 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.3 157.75 41.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 2.5 m -113.32 136.44 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CG1' ' OG1' ' A' ' 12' ' ' THR . 28.6 mm -65.68 131.39 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.203 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.9 t -112.18 -33.72 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' B' ' 22' ' ' VAL . . . -173.53 152.06 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 t -99.64 150.14 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 p -99.05 172.15 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.47 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' CG ' HG22 ' B' ' 16' ' ' THR . 0.6 OUTLIER -92.43 146.04 31.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.593 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.4 Cg_endo -74.97 156.54 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.43 1.752 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.593 ' HB3' ' O ' ' A' ' 45' ' ' PRO . 9.1 t30 75.09 -33.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE3' HG21 ' A' ' 59' ' ' ILE . 7.0 m95 -80.25 118.16 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 14.5 m-85 -145.31 139.11 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.9 ttpt -93.16 121.73 34.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.493 1.121 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -133.55 168.82 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.05 157.13 27.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 22.5 p30 -101.65 179.76 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -10.0 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.1 t -83.56 -13.49 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.07 -5.86 68.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -69.92 149.65 47.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.6 126.56 44.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -157.46 171.29 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.625 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.2 mp -97.42 145.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.2 pt -146.13 131.23 9.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.06 130.12 12.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -61.04 -12.85 13.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.39 -14.47 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.711 ' CE2' ' CG ' ' A' ' 20' ' ' PHE . 21.4 m-85 -126.06 -1.62 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 66' ' ' GLN . 4.7 p -143.77 145.56 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 65' ' ' VAL . 1.2 pt20 -110.3 155.92 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 110.48 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -50.61 -24.91 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.26 13.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.16 42.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -74.95 151.38 39.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -47.05 174.26 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 157.0 42.92 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.568 1.825 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 1.0 OUTLIER -65.93 122.59 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.203 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.84 82.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 15.5 p -66.59 147.38 99.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.462 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -74.95 -16.79 20.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.72 -13.2 20.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -56.74 -32.14 65.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -55.59 -16.91 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.01 130.87 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 90.4 t -100.62 121.9 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.71 116.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.2 pt-20 -78.62 54.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.47 -36.86 0.59 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 p -67.49 138.23 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 128.81 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 14.6 p -101.53 151.49 21.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 HD13 ' CG ' ' A' ' 68' ' ' ARG . 5.2 mp -114.4 133.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -81.55 132.12 35.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 -42.19 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 18.9 m-85 -108.17 137.96 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -87.96 115.44 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 22.7 t80 -124.66 131.68 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.488 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -68.57 178.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.66 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 141.94 19.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 24' ' ' ALA . 6.8 t -118.63 -31.15 4.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.776 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 23' ' ' THR . . . -132.5 148.05 52.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.43 -33.24 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 2.5 mt-30 -76.89 -22.04 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.7 158.32 25.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.23 145.63 57.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 141.57 26.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.99 142.38 45.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.8 p -124.07 110.1 14.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -35.71 134.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.95 -26.35 24.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.63 148.49 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.33 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 30' ' ' PHE . 18.3 mt -124.16 158.47 32.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.9 m -116.56 132.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.18 125.11 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 40.7 t -107.57 -35.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' HG12 ' B' ' 22' ' ' VAL . . . -172.2 159.4 4.82 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 42' ' ' THR . 35.7 t -103.58 152.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.418 ' N ' HG13 ' A' ' 41' ' ' VAL . 7.0 p -104.62 171.28 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -39.0 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.77 151.51 40.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' PRO . 3.8 m120 -33.15 -36.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.643 1.215 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 10.3 m95 -80.57 125.6 30.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 79.7 m-85 -141.86 144.97 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 6.0 tttm -103.29 122.43 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -137.53 169.5 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 43.3 pttt -126.3 148.96 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 1.2 m120 -86.42 176.0 8.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -8.96 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.9 t -82.49 -14.4 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.13 58.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.7 mpt_? -69.42 136.83 52.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 0.728 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.25 123.68 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.7 167.82 35.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.583 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.7 mp -95.95 143.2 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CD1' HG13 ' A' ' 65' ' ' VAL . 1.7 pp -141.86 137.63 16.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.01 129.61 12.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -63.04 -11.67 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -62.14 -11.6 15.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.9 m-85 -128.57 -0.29 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 30' ' ' PHE . 9.8 p -144.21 145.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -127.08 142.58 51.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' GLU . 4.3 ttpt -72.19 114.93 10.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' CG ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -37.86 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.8 tp10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 8' ' ' ILE . 18.3 Cg_endo -74.96 174.32 12.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.28 37.77 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -48.52 174.86 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 151.45 39.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.28 123.99 10.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 91.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.5 p -76.44 143.75 73.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.07 -18.4 18.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -62.75 -13.39 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -58.71 -30.3 67.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.36 -15.64 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.452 HD13 ' N ' ' B' ' 21' ' ' ILE . 4.2 mp -114.4 130.98 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 40' ' ' ALA . 86.3 t -109.36 124.41 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -66.79 117.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.1 pt-20 -78.61 56.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 6.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.51 -75.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -79.43 134.02 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -108.54 127.45 53.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.94 147.76 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 35' ' ' VAL . 14.0 mm -116.27 128.45 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -80.68 136.6 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -116.43 -41.29 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 68.2 m-85 -110.13 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -116.72 76.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -91.75 120.87 32.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.563 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 31.3 m170 -59.37 175.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.565 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -77.41 146.3 31.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -115.57 -33.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.09 152.92 46.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.41 -36.38 66.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.215 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.429 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 37.7 mt-30 -77.79 -21.35 51.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -79.67 135.69 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -114.19 120.41 38.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.96 141.41 26.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 18.2 p90 -132.33 159.17 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LYS . 80.7 m -108.64 136.28 48.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.52 145.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.41 35.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -74.27 147.6 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.42 134.74 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.92 121.67 25.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -88.88 135.83 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 10' ' ' SER . 39.9 mm -65.46 129.31 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 55.0 t -104.11 -35.41 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' B' ' 22' ' ' VAL . . . -169.19 146.81 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.03 155.92 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.45 ' C ' ' H ' ' A' ' 44' ' ' ASP . 1.7 p -118.73 173.97 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.95 5.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.99 161.5 38.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.586 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.98 -90.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -86.64 41.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.668 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 5.1 m95 -131.22 115.84 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.9 m-85 -143.87 152.32 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -96.6 122.1 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.63 170.04 14.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 1.5 pttm -120.42 157.71 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.02 176.75 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -11.28 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.97 -14.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.58 2.68 57.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -69.96 151.12 45.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.78 134.87 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' HD22 ' A' ' 28' ' ' LEU . . . -177.4 170.75 43.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.54 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.3 mp -96.62 146.75 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' C ' ' CZ3' ' A' ' 47' ' ' TRP . 28.8 pt -138.72 136.21 18.5 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.371 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.7 Cg_endo -74.96 116.35 4.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -55.38 -16.45 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -12.83 13.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 58.5 m-85 -128.47 0.75 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 2.2 p -143.16 145.67 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -114.53 153.99 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -100.34 114.7 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -49.25 -28.35 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 122.13 6.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 150.36 38.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.548 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.92 176.06 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 157.23 42.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.56 153.0 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.16 87.39 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.8 p -72.3 136.96 81.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.87 14.38 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.21 -11.66 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -57.07 -25.55 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -10.82 14.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.53 131.61 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 40' ' ' ALA . 38.8 t -111.62 124.32 68.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.67 117.94 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.0 pt-20 -78.64 55.48 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.65 14.06 6.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 p -80.96 134.47 35.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.81 126.27 45.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 136.09 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.57 130.77 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.49 124.94 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -107.01 -43.49 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 17.5 m-85 -113.64 133.27 55.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.09 93.81 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.372 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 30.4 t80 -93.65 135.47 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 178.24 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 125.42 25.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.5 ' HB ' ' CZ ' ' A' ' 20' ' ' PHE . 5.2 t -115.88 -14.05 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.71 25.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -56.34 -28.21 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' CB ' HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.94 -20.79 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.11 136.75 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.37 121.94 32.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.76 23.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 25.2 p90 -118.73 178.1 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 4.7 m -116.18 121.21 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -44.17 138.25 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.77 -27.3 21.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 56.6 p30 -77.59 147.58 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.55 138.27 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.22 168.75 16.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 6.5 m -111.88 135.56 52.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 27.1 mm -73.23 137.83 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.4 t -104.73 -33.62 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.067 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' CB ' HG21 ' B' ' 22' ' ' VAL . . . -176.04 161.96 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -102.82 155.34 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 34.6 p -99.71 172.51 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -73.85 -20.53 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 14' ' ' GLU . 0.9 OUTLIER -91.93 153.13 43.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 170.03 21.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER 38.36 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 7.6 m95 -133.67 123.2 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.956 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CG ' ' C ' ' A' ' 47' ' ' TRP . 16.1 m-85 -152.32 140.73 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.5 ttpp -92.31 122.42 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.374 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -132.79 169.66 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.16 156.85 31.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 3.9 p30 -98.74 176.63 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -9.31 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -82.35 -13.53 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.72 -4.58 69.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -70.36 143.28 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -117.39 124.94 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.45 172.37 36.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.582 1.176 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.569 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 1.5 mp -96.44 150.33 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CD1' HG11 ' A' ' 65' ' ' VAL . 5.8 pt -146.29 132.54 9.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 122.86 7.5 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.71 -16.1 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.64 -11.74 18.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 72.4 m-85 -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG21 ' N ' ' A' ' 66' ' ' GLN . 2.5 p -144.75 145.01 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -110.65 152.43 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -99.48 114.56 27.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -29.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.08 149.75 36.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.593 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.618 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 149.43 36.7 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 4.4 pt-20 -54.56 127.74 29.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.401 ' NH2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -76.21 79.4 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 69.1 p -64.8 145.89 98.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.462 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.55 21.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 57.2 mm-40 -60.54 -13.44 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 p -56.04 -34.07 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.001 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.51 -17.95 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -115.15 130.53 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 40' ' ' ALA . 46.1 t -96.19 126.44 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 2.5 m -66.72 119.92 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.1 pt-20 -78.73 56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.66 -37.59 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -67.07 138.97 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -128.46 140.39 51.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 20.3 m -98.29 151.34 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.438 ' CD1' HG23 ' A' ' 35' ' ' VAL . 14.9 mm -115.96 133.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -79.71 135.17 36.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -40.84 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 43.3 m-85 -103.16 150.6 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 91.92 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.724 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 13.6 t80 -92.34 127.9 37.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -67.81 -62.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.67 155.2 7.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -35.94 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.368 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . . . -148.54 157.12 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.41 -6.08 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.0 mt-30 -86.43 -21.02 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 16.9 p30 -79.58 176.74 9.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HG ' ' HA3' ' A' ' 58' ' ' GLY . 11.8 mt -126.69 99.34 29.84 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.08 17.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 16' ' ' ALA . 5.5 p90 -140.75 -174.28 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' LYS . 3.6 m -118.18 134.83 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.61 125.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.0 -8.1 35.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -75.55 150.76 38.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.0 137.71 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.04 149.48 52.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.224 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 2.2 m -106.83 135.25 48.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mm -66.59 129.34 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 51.9 t -113.01 -35.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' ' HE2' ' A' ' 49' ' ' LYS . . . -175.19 151.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 42' ' ' THR . 79.1 t -94.77 159.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 41' ' ' VAL . 47.2 p -111.48 167.5 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.13 -40.71 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.338 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.75 153.93 41.03 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.708 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.03 -82.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.569 ' C ' ' O ' ' A' ' 45' ' ' PRO . 17.3 m-20 -27.2 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.597 ' N ' ' O ' ' A' ' 45' ' ' PRO . 6.7 m95 -80.1 123.3 27.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.708 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 67.2 m-85 -141.2 146.22 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.2 ttpt -103.05 122.92 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -139.08 171.18 14.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -113.87 157.77 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -98.22 177.52 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -10.75 60.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 22.3 m -84.21 -14.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.93 -0.04 57.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 151.4 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.96 124.82 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -162.41 -164.03 16.49 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -109.2 151.52 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 65' ' ' VAL . 5.3 pt -146.63 129.03 7.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.1 122.61 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.71 -13.34 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -58.2 -16.23 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.5 m-85 -127.03 -1.62 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 66' ' ' GLN . 7.7 p -144.8 145.89 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -121.32 155.49 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.23 110.96 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -22.23 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.17 13.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 150.22 37.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.32 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 152.04 40.2 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 3.6 pt-20 -52.05 117.29 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -70.93 87.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.294 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.409 HG22 ' O ' ' B' ' 14' ' ' GLU . 2.3 p -68.21 144.72 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -20.7 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.74 -13.41 32.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -56.87 -28.59 62.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -59.56 -14.11 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.411 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.6 mp -115.38 131.63 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.9 t -110.21 132.52 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.75 117.76 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.5 pt-20 -78.64 55.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 24' ' ' GLU . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.21 -115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -104.56 138.2 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.67 112.33 24.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' HG22 ' A' ' 65' ' ' VAL . 8.2 m -102.6 147.98 26.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 68' ' ' ARG . 2.7 mp -116.13 139.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.29 120.57 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -96.4 -45.98 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 9.3 m-85 -109.23 139.32 44.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -74.95 88.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 12.9 t80 -90.68 129.94 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -93.26 153.53 18.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.57 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -40.31 124.9 2.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 24' ' ' ALA . 14.5 t -112.52 -26.07 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.475 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 23' ' ' THR . . . -145.46 152.34 39.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -34.29 59.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -86.4 -20.71 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 59' ' ' ILE . 25.8 t0 -54.46 169.76 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -133.6 100.0 13.89 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -75.04 133.8 16.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 25.9 p90 -139.67 179.79 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.31 131.94 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 144.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.79 -21.83 39.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.3 147.87 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 0.808 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.6 137.16 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.52 154.01 49.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.4 m -111.46 134.44 53.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.384 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -66.58 138.02 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.377 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 60.2 t -113.0 -33.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -175.98 160.83 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 42' ' ' THR . 88.8 t -101.92 167.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.453 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 29.4 p -120.42 168.27 11.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.72 -36.21 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -92.34 147.67 34.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.694 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.04 -79.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 m120 -33.54 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE3' HG22 ' A' ' 59' ' ' ILE . 9.5 m95 -84.69 127.05 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 108.058 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.694 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 90.0 m-85 -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.2 tttt -100.74 122.22 42.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -138.39 170.36 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 10.7 ptmt -114.75 155.67 26.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 5.6 p-10 -97.04 179.32 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 2.3 tmtm? -69.42 -11.06 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG23 ' ND2' ' A' ' 52' ' ' ASN . 1.8 t -84.18 -9.53 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.26 83.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 34.3 ttt180 -70.13 147.58 49.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -115.98 122.65 45.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 28' ' ' LEU . . . -155.77 171.49 33.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.593 HG22 ' CE3' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -97.29 146.02 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.537 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 2.2 pp -146.56 131.72 9.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.01 126.68 10.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.44 -14.25 4.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.78 -7.56 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.619 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 57.2 m-85 -127.75 -1.22 6.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 60' ' ' ILE . 15.0 p -144.12 146.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -122.45 155.44 36.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -85.09 110.66 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' CG ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -39.16 -32.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.23 13.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.56 8.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.39 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.4 175.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.07 155.82 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -49.94 130.66 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.498 ' CZ ' ' CD2' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -81.59 89.82 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.0 OUTLIER -82.54 137.89 44.61 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.06 -22.39 14.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -64.31 -11.62 33.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.0 -27.75 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -13.41 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.424 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -114.06 131.2 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -104.06 133.15 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.35 123.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.1 pt-20 -78.2 55.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -97.0 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -98.38 139.39 34.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 0.785 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 118.46 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 10.5 m -98.29 140.89 31.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 108.352 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' CD1' HG22 ' A' ' 35' ' ' VAL . 8.3 mm -106.26 135.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.6 125.81 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.612 ' CE ' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -110.56 -42.99 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.612 ' CE1' ' CE ' ' A' ' 17' ' ' LYS . 7.2 m-30 -97.07 -175.27 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -119.98 72.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.635 1.21 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.7 t80 -83.3 115.74 22.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -89.24 41.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.629 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 59.69 145.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -110.75 -33.25 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.48 153.19 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.97 -24.86 59.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.507 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 tp60 -78.22 -20.57 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -77.79 -171.32 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HG ' ' CA ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -133.19 101.37 13.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CZ ' HD12 ' A' ' 60' ' ' ILE . 10.1 p90 -141.06 173.27 11.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -115.28 146.98 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 141.6 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.81 -17.59 52.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.02 144.81 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.43 138.34 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -130.09 157.67 41.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -116.12 131.39 56.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.76 132.31 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.232 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.95 -31.7 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.58 156.21 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 42' ' ' THR . 74.7 t -99.37 160.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.411 ' N ' HG12 ' A' ' 41' ' ' VAL . 5.8 p -111.0 169.76 8.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -37.3 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.08 153.06 43.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.654 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.91 -81.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 29.5 m-20 -33.04 -35.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.637 ' CE3' HG23 ' A' ' 59' ' ' ILE . 4.8 m95 -80.73 119.45 23.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.048 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 70.8 m-85 -136.63 141.85 43.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -94.15 121.89 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' HD11 ' A' ' 28' ' ' LEU . . . -135.48 171.46 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -125.2 157.82 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.5 177.42 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -10.91 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.86 -12.45 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.73 3.72 60.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.17 141.75 52.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -118.46 120.07 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -160.67 171.93 36.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.637 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.8 mp -95.41 144.75 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.596 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 4.4 tt -136.97 129.91 17.33 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.511 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 121.54 6.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.08 -16.65 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -63.0 -10.31 13.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 51.9 m-85 -125.88 -4.72 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 62' ' ' ALA . 7.4 p -144.76 146.22 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' N ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -111.05 157.2 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 113.69 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -22.66 60.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.389 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 174.28 13.05 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 153.39 42.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -75.02 150.4 38.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.43 175.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.93 155.13 43.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.486 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 0.4 OUTLIER -50.32 135.66 21.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -86.57 74.58 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 6.9 p -72.03 140.89 83.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -75.0 -19.88 17.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -13.19 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.403 ' CB ' ' HB ' ' A' ' 42' ' ' THR . 67.8 m -60.72 -26.14 66.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.6 -11.65 12.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.82 132.04 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.08 128.96 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -66.74 129.48 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.5 pt-20 -78.4 55.92 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 28.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 -17.48 4.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -84.8 136.55 33.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 0.821 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -106.96 124.02 49.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 65' ' ' VAL . 29.5 p -107.77 141.39 39.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 35' ' ' VAL . 3.7 mm -111.07 128.39 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.398 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.7 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.579 ' HE2' ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.72 -36.76 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.579 ' CE2' ' HE2' ' A' ' 17' ' ' LYS . 60.0 m-85 -89.91 162.99 15.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -103.19 81.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 16.8 t80 -97.77 120.53 38.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' GLY . 78.3 m-70 -89.23 37.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 55.4 163.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -117.65 -34.75 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -20.91 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -77.02 -21.11 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.523 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.87 -170.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' CB ' HG23 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -132.47 99.89 15.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.78 13.61 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -140.38 -179.98 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -118.49 131.31 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' CYS . 15.9 pttp -39.69 128.74 2.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.12 -13.25 52.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -75.46 151.91 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 36' ' ' LEU . 1.1 mp -131.76 151.82 51.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -113.46 131.23 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 28.4 mm -67.79 133.51 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.0 t -110.85 -30.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.8 154.21 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.5 158.39 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -109.4 167.06 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -35.78 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.61 151.85 41.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -82.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 3.1 m120 -32.99 -35.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -81.92 119.39 23.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 58.7 m-85 -135.56 144.33 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.66 122.51 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . . . -137.3 169.95 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 3.4 pttt -119.27 157.86 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' OD1' ' CD1' ' A' ' 28' ' ' LEU . 16.9 m-20 -95.2 176.98 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -10.91 60.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.2 -13.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.74 1.72 60.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.96 118.77 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -157.78 168.44 34.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.589 1.18 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.597 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -95.56 146.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.503 HG23 ' CB ' ' A' ' 28' ' ' LEU . 1.3 pt -144.82 129.97 9.32 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.586 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 127.74 10.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.04 -15.76 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -13.25 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 11.0 m-85 -121.49 -9.08 9.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 66' ' ' GLN . 2.2 p -144.81 145.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.53 ' N ' HG23 ' A' ' 65' ' ' VAL . 1.9 pt20 -103.04 153.8 19.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 115.79 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -24.37 6.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.27 13.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 121.49 6.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.91 150.36 38.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.572 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.05 174.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 153.47 42.02 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.411 ' O ' HG21 ' B' ' 16' ' ' THR . 2.6 pt-20 -50.54 120.72 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 89.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.411 HG21 ' O ' ' B' ' 14' ' ' GLU . 4.2 p -75.81 136.99 69.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.47 11.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -66.02 -9.38 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -66.08 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 26' ' ' GLN . 2.7 m-85 -59.78 -13.87 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.68 131.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 75.9 t -102.32 132.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -66.79 117.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.8 pt-20 -78.67 55.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.32 -116.53 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -102.98 139.37 38.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.7 111.79 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -96.69 142.25 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.8 130.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.648 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.55 136.89 36.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 -42.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 54.0 m-85 -109.53 155.33 21.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -96.42 82.65 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 20.1 t80 -78.34 119.24 21.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.13 -55.83 29.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.57 157.37 7.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -125.53 -36.75 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.68 157.63 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.21 -22.63 65.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -83.19 -13.18 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -76.45 150.93 36.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 1.5 pp -123.6 109.08 30.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.58 34.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 5.7 p90 -138.94 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.8 132.33 55.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.9 140.19 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.78 -20.18 51.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.51 151.38 37.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.63 137.77 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -130.73 153.13 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.14 125.78 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.1 mm -67.38 134.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.1 t -112.92 -29.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -166.45 159.04 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 42' ' ' THR . 74.7 t -106.27 167.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.461 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 18.3 p -115.43 172.09 7.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -72.99 -11.01 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.6 m-20 -91.98 166.53 17.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.03 -81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.52 52.51 0.64 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 23.6 m95 -142.71 119.59 11.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 28.1 m-85 -150.99 140.16 21.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 22.2 tttp -94.11 122.0 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.71 169.65 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 157.3 30.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 11.8 p30 -100.84 179.43 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -9.85 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.7 t -82.91 -13.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.47 -3.91 69.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -70.36 145.75 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -123.85 126.33 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.21 174.77 36.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -96.45 150.53 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 14.3 pt -145.03 133.16 10.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.93 124.02 8.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.17 -17.73 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.62 -12.54 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 26.3 m-85 -126.39 -2.73 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.55 ' HB ' ' CZ ' ' A' ' 30' ' ' PHE . 2.6 p -144.16 146.22 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.45 152.93 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.91 111.99 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -27.49 69.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.8 4.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.66 38.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.76 174.7 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.6 Cg_endo -74.94 151.01 39.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 3.7 pt-20 -53.78 122.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.4 88.39 3.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 42.9 p -76.78 146.92 77.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.25 18.91 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.819 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 1.1 mp0 -62.53 -12.93 25.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -57.24 -30.41 64.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -57.41 -15.33 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.431 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -113.79 131.3 66.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.425 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 69.3 t -94.52 133.06 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -77.22 128.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 7.9 pt-20 -78.44 55.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.79 -106.26 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 p -105.12 131.42 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -110.63 126.23 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 25.5 m -104.07 148.95 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 35' ' ' VAL . 10.5 mm -113.13 130.28 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -80.66 135.5 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.68 -43.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.6 m-85 -88.34 127.66 35.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -77.31 108.25 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.3 t80 -118.94 139.23 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -101.22 29.9 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.655 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . 65.52 141.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 t -120.22 -32.39 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.08 144.54 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.94 -27.61 61.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.483 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 14.8 mt-30 -81.66 -21.25 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.04 153.71 32.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.7 pp -122.18 117.15 29.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.93 144.62 30.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 15.1 p90 -139.66 174.16 10.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' LYS . 7.6 m -113.71 127.78 56.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.245 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' CYS . 11.8 pttt -37.26 126.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.03 -14.44 28.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 151.6 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.01 137.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -131.72 130.84 42.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -93.62 131.53 38.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.16 130.76 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' CG ' ' A' ' 51' ' ' LYS . 93.8 t -113.34 -33.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' CB ' HG11 ' B' ' 22' ' ' VAL . . . -169.32 159.85 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -104.26 158.13 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 p -102.47 172.3 6.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -43.61 -38.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.76 155.09 39.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.653 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.84 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' PRO . 5.1 m120 -31.48 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 59' ' ' ILE . 7.8 m95 -82.55 120.22 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 72.0 m-85 -136.76 144.1 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 19.9 ttpt -98.72 121.95 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.74 170.16 15.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CG ' HG23 ' A' ' 39' ' ' VAL . 11.8 mtpp -116.44 156.01 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -95.16 171.5 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -11.54 60.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.7 t -84.75 -12.66 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.97 52.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER -84.2 150.5 25.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.49 125.31 49.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.361 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' CA ' HD21 ' A' ' 28' ' ' LEU . . . -162.71 166.08 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.582 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.6 mp -96.28 150.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 6.7 pt -144.11 136.28 13.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.93 127.42 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.65 -23.05 66.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -71.56 -0.52 10.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 18' ' ' TYR . 4.1 m-85 -121.09 -8.15 9.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' A' ' 62' ' ' ALA . 1.7 m -143.95 168.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -135.86 136.45 40.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 111.44 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -61.09 -24.96 66.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.238 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 8' ' ' ILE . 18.4 Cg_endo -75.0 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.25 13.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.6 Cg_endo -74.9 151.23 39.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.473 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -47.7 175.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 155.76 42.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -51.58 140.06 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.516 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -91.79 88.28 6.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.1 p -81.23 142.28 50.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.368 1.042 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 17.9 Cg_endo -75.08 -18.62 18.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -63.02 -12.14 23.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -60.75 -12.67 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.6 mp -115.33 132.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.443 HG11 ' CB ' ' A' ' 40' ' ' ALA . 96.5 t -103.97 124.69 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.5 128.51 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 25' ' ' GLU . 6.6 pt-20 -78.48 56.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.3 tm-20 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA3' ' CG2' ' A' ' 37' ' ' THR . . . -131.0 93.13 0.3 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 37' ' ' THR . 80.8 p -65.35 138.13 57.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -80.81 114.59 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -100.34 135.51 41.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mm -106.93 128.76 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 139.23 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -44.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 20.2 m-85 -111.4 132.9 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -79.84 102.15 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 39.8 t80 -106.09 126.46 52.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 32.6 t-80 -71.06 167.92 18.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.643 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG ' ' A' ' 21' ' ' HIS . . . -72.33 139.47 28.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.653 1.221 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -116.84 -31.78 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.11 50.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -55.29 -36.98 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 mt-30 -77.01 -20.46 55.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -78.57 141.19 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.03 119.84 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.54 23.07 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.778 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -136.9 149.85 47.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -96.35 146.52 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 149.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.7 -26.67 11.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.01 140.34 54.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -111.47 137.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.88 143.19 49.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 46.7 m -97.98 136.66 37.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.27 135.01 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.9 t -115.15 -35.68 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -171.6 161.42 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 42' ' ' THR . 84.8 t -102.46 168.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.461 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 11.8 p -124.31 172.32 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE3' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -75.11 -15.25 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -91.86 151.38 42.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 163.4 35.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER 37.92 31.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.65 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 12.4 m95 -126.64 121.08 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 24.1 m-85 -150.66 139.86 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.8 tttm -91.9 122.08 34.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -130.7 170.06 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -122.72 157.33 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -97.58 176.93 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.85 -13.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.44 1.49 59.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.31 149.76 47.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -129.6 132.96 46.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.513 ' CA ' HD22 ' A' ' 28' ' ' LEU . . . -171.2 174.19 44.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.566 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.3 mp -98.97 146.31 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 65' ' ' VAL . 1.9 pp -145.38 134.76 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.0 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.54 -12.0 19.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -11.94 14.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 58.4 m-85 -126.9 -0.62 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 62' ' ' ALA . 1.6 p -142.89 146.08 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 154.78 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -100.4 116.9 33.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.75 65.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.42 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.4 Cg_endo -74.88 174.39 12.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 154.32 42.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.817 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.0 Cg_endo -74.98 150.67 38.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.94 175.44 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.65 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.08 151.02 38.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -53.94 145.07 17.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.432 ' NH2' ' OG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -95.38 89.97 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 44' ' ' ASP . 1.3 p -73.99 147.38 86.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.454 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -21.28 16.15 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.513 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.65 -12.24 32.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.432 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 15.8 p -59.18 -30.19 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -56.24 -16.12 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.01 130.93 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.403 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 28.3 t -105.95 120.8 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 43' ' ' LYS . 1.1 m -66.61 129.44 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.9 pt-20 -78.19 56.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.4 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.208 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.09 -100.12 0.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -89.92 139.46 30.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.455 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.85 127.6 44.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.212 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' HG21 ' A' ' 65' ' ' VAL . 3.3 m -100.59 156.38 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.4 mm -119.24 133.59 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.78 126.74 31.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 -44.39 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 22.2 m-85 -106.35 134.31 49.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -74.32 79.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.613 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 6.1 t80 -77.6 108.98 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.94 -47.61 80.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.15 149.48 5.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 -34.17 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -132.44 144.34 50.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.13 -13.61 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.507 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.83 -15.1 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -62.98 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' CB ' ' CG2' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -134.75 98.38 13.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -140.77 177.55 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.9 m -122.99 137.3 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 108.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.68 138.36 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.29 -21.23 46.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.62 147.88 39.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.34 136.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.583 ' CD2' ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.57 157.43 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -108.34 128.59 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.417 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 4.5 tp -68.46 138.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.15 -35.83 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.221 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' B' ' 22' ' ' VAL . . . -176.37 161.8 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 48' ' ' TYR . 96.9 t -95.26 163.57 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 41.3 p -110.63 173.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.4 mptp? -60.53 -24.16 65.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -91.18 158.27 41.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.636 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.04 -66.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -75.87 42.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 30.2 m95 -144.93 127.98 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.636 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 80.5 m-85 -153.56 138.84 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.6 tttt -92.33 120.87 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.583 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . . . -132.04 170.39 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.6 ptmm? -123.26 157.17 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.5 175.83 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -11.68 60.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 13.8 m -84.45 -10.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.64 59.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.45 150.87 45.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.86 125.46 30.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -166.24 171.62 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.564 1.165 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -95.89 144.75 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.582 ' CG2' ' CB ' ' A' ' 28' ' ' LEU . 14.7 pt -139.83 138.65 20.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.01 125.93 9.64 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.97 -19.55 44.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.91 -4.5 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.613 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 60.4 m-85 -127.2 -3.85 6.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG13 ' CD1' ' A' ' 60' ' ' ILE . 14.4 p -144.44 147.1 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.73 156.89 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.37 116.62 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -21.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.249 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 110.292 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 174.44 12.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.548 1.815 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 146.46 32.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.812 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.96 150.04 37.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 148.48 35.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.7 pt-20 -51.19 117.36 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -67.85 95.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -78.9 145.42 65.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -13.29 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -61.46 -12.86 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -30.66 62.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -14.99 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.444 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -114.29 132.09 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 43.3 t -93.46 124.16 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.79 117.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.53 55.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.0 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.39 -74.47 0.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 p -84.08 139.18 32.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 135.98 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -108.26 139.15 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 108.344 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.11 129.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.09 136.3 36.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -43.1 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 25.3 m-85 -111.39 128.72 56.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -82.55 98.78 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -114.63 119.23 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 179.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.52 145.5 21.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 t -117.08 -34.45 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.69 148.64 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.64 -30.71 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 29.0 mt-30 -81.08 -22.01 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.62 149.34 31.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.84 124.75 24.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.04 29.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 17.2 p90 -134.67 166.33 23.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.4 m -112.2 127.51 55.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.71 145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.1 -25.37 25.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 38.1 m-20 -75.58 134.86 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.97 136.29 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.13 175.2 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.4 m -117.48 131.37 56.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.433 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -68.01 137.85 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.489 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 35.7 t -105.86 -33.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' CG1' ' B' ' 22' ' ' VAL . . . -174.81 162.5 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 42' ' ' THR . 20.2 t -102.66 162.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 24.1 p -106.26 172.5 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.7 OUTLIER -63.89 -35.42 80.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' B' ' 16' ' ' THR . 1.0 OUTLIER -94.07 146.98 32.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.07 163.09 35.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 12.7 t30 66.54 3.8 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.54 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.8 m95 -122.46 116.61 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD1' HG23 ' A' ' 41' ' ' VAL . 20.0 m-85 -147.58 143.67 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 30.8 ttpt -93.24 120.61 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -133.42 169.58 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HD3' ' CG2' ' A' ' 39' ' ' VAL . 11.3 mtpp -120.66 154.37 35.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -92.91 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -11.48 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.19 -10.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.06 21.15 31.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.95 153.88 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.01 128.08 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.79 167.79 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.54 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -94.84 149.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.1 pt -145.54 134.68 11.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 46' ' ' ASN . 18.3 Cg_endo -75.03 121.62 6.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.793 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -54.27 -14.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -58.89 -15.46 12.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 57.4 m-85 -128.3 0.35 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 3.2 p -143.46 146.18 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.9 156.24 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -107.55 119.52 39.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -61.26 -29.55 69.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 174.4 12.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 152.43 40.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.96 149.82 37.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.593 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.31 175.46 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.16 152.0 39.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 135.46 43.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 82.88 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 44' ' ' ASP . 11.9 p -67.01 141.42 96.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.466 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 6.2 mm-40 -61.38 -13.08 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -56.51 -30.69 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -57.75 -15.25 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.433 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -113.42 132.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 89.9 t -101.99 117.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 m -66.68 117.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.67 55.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.16 4.44 7.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.422 1.076 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -89.26 133.04 34.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -122.44 124.59 43.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 55.7 m -96.56 147.91 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 15' ' ' ILE . 1.5 mp -109.65 131.58 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . . . -76.0 124.02 26.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -95.94 -43.19 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 14.2 m-85 -110.21 161.37 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -96.55 84.61 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 3.5 t80 -78.11 131.73 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -90.52 26.0 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 58.9 149.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -121.75 -34.88 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.34 144.07 48.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.078 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.9 -17.19 35.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -85.22 -20.61 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.2 165.19 23.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' ASP . 12.6 mt -115.71 106.46 50.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 16' ' ' ALA . 9.4 p90 -140.57 179.07 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -122.81 144.07 49.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.84 137.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.72 -18.05 55.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -74.71 137.94 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.05 138.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mp -129.67 150.38 51.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.4 m -106.41 130.26 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 4.9 mp -69.63 134.26 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.22 -36.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.02 157.28 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 42' ' ' THR . 99.2 t -107.92 168.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.434 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 14.5 p -115.25 169.4 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' CB ' ' HB2' ' B' ' 18' ' ' GLU . 7.7 tptp -45.33 -35.9 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.36 154.55 42.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.668 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.97 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 12.1 m120 -33.37 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE3' HG23 ' A' ' 59' ' ' ILE . 7.0 m95 -80.56 121.09 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 63.4 m-85 -138.62 145.47 40.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 1.173 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 2.1 ttmm -99.51 122.99 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -135.44 170.37 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 57' ' ' GLU . 26.6 mtmt -117.57 158.13 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -98.15 169.54 9.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -11.28 60.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -84.1 -12.87 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.37 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.95 34.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.5 mmt180 -82.24 152.04 26.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 1.4 pt-20 -136.41 129.32 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.187 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.437 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -172.92 -163.76 27.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.595 HG23 ' CE3' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -108.22 151.39 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 21.2 pt -143.33 129.46 10.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 122.27 7.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.557 1.819 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.82 -20.36 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.36 -7.16 17.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 28.9 m-85 -125.28 -5.65 7.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.504 ' O ' ' O ' ' A' ' 62' ' ' ALA . 7.6 p -144.66 149.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.48 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -115.33 160.07 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -93.97 114.95 27.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -49.76 -32.02 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.5 12.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.79 42.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 150.69 38.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.85 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 155.11 42.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.418 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 2.1 pt-20 -52.53 137.83 29.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.525 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.2 OUTLIER -88.33 86.6 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.2 p -81.32 144.04 53.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.492 ' HB2' ' CB ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -62.08 -13.03 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p -58.51 -31.58 68.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 13.8 t80 -55.8 -16.87 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.417 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.7 mp -112.09 131.61 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -103.51 125.27 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.65 117.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.8 pt-20 -78.65 55.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.96 -71.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -85.5 139.39 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -106.71 131.01 54.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.4 p -115.58 151.67 34.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 15' ' ' ILE . 4.5 mp -117.05 135.6 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -79.18 125.24 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.4 -43.6 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.498 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 51.5 m-85 -97.32 130.53 44.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -75.48 109.28 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' HB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -108.89 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -91.04 29.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 135.39 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.58 ' HB ' ' CE1' ' A' ' 20' ' ' PHE . 8.0 t -114.42 -29.64 6.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.441 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.63 151.73 49.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.85 -28.23 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.459 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 38.4 mt-30 -81.88 -19.51 40.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.63 158.31 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 2.3 pp -126.7 112.56 22.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.4 30.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.5 -171.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LYS . 51.5 m -122.07 129.06 52.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' CYS . 12.2 pttt -39.14 130.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.32 -18.2 30.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -75.63 145.84 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.93 137.83 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 28' ' ' LEU . 3.9 mp -130.81 142.01 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -96.54 127.03 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.33 136.96 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 78.5 t -113.79 -33.88 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' B' ' 22' ' ' VAL . . . -166.51 161.54 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.1 152.77 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 18.2 p -98.23 173.81 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -14.36 62.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.545 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.7 m-20 -91.9 166.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.97 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -75.05 49.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.4 m95 -142.53 121.94 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.058 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 37.0 m-85 -151.33 139.3 20.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.6 tttm -90.63 121.64 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' THR . . . -128.88 170.68 13.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.383 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -120.73 157.58 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -91.98 172.57 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -12.21 61.33 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.461 1.101 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.3 m -85.78 -13.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.75 13.83 36.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -76.27 150.54 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.12 121.42 34.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.13 169.89 39.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.597 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.9 mp -95.88 151.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 10.7 pt -143.85 131.99 10.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 122.44 7.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.19 -21.4 59.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -71.24 -1.03 11.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 10.7 m-85 -126.42 -1.73 6.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -144.18 162.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.24 133.84 55.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.33 111.9 20.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -27.76 39.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.28 13.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 148.9 35.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.16 37.94 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.15 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.604 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 149.48 36.74 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.55 125.14 21.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.473 ' NH2' ' HG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -72.03 85.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.42 HG22 ' CG ' ' A' ' 44' ' ' ASP . 14.3 p -66.37 147.34 98.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.53 20.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.28 -12.32 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.473 ' HG ' ' NH2' ' B' ' 15' ' ' ARG . 10.7 p -56.39 -30.91 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -57.89 -15.73 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.424 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -115.48 131.04 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 40' ' ' ALA . 20.5 t -90.78 122.19 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -65.19 123.71 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.8 pt-20 -78.27 54.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.8 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.438 ' N ' HG21 ' A' ' 37' ' ' THR . 15.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.24 -76.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 p -92.43 139.77 30.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.1 132.06 56.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.45 149.79 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.91 131.97 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -78.73 136.58 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -43.6 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 17.1 m-85 -112.05 128.54 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -74.6 100.49 3.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 39.3 t80 -102.7 176.97 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.426 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -114.17 -80.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.639 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.52 161.15 10.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.458 ' CG2' HD13 ' B' ' 12' ' ' LEU . 4.0 p -114.62 -38.13 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.5 158.01 16.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -68.13 -10.16 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.524 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -97.04 -14.28 21.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 5.0 m-20 -76.03 130.17 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -120.38 119.39 30.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' HIS . 18.3 Cg_endo -74.99 155.21 42.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 7.6 p90 -122.41 -179.73 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.52 131.64 56.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.277 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 133.19 9.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.77 -15.38 63.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -75.76 151.34 37.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.58 138.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -129.55 150.35 50.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 2.8 m -107.37 135.74 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 tp -68.99 135.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.6 t -113.26 -34.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.96 161.14 2.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.67 160.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -112.97 171.45 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 110.456 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -76.13 -4.46 41.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' ' OG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER -100.05 157.64 33.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 158.46 42.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 0.1 OUTLIER 33.5 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.9 m95 -129.8 116.95 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.05 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 46' ' ' ASN . 1.4 m-85 -149.2 148.22 29.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.1 ttpt -93.27 122.28 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -131.85 170.16 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.94 157.39 34.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -95.95 174.28 7.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -10.97 60.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.33 -13.29 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 4.79 56.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.29 148.0 49.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.89 130.65 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' N ' HD21 ' A' ' 28' ' ' LEU . . . -178.11 173.68 46.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.524 ' CD1' ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.03 147.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 32.9 pt -136.63 131.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.554 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.63 -17.11 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -11.06 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.4 m-85 -127.06 -1.27 6.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' O ' ' O ' ' A' ' 62' ' ' ALA . 2.7 p -142.93 145.26 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' N ' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -110.66 154.67 23.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.35 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.92 115.48 27.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -41.01 -32.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 150.56 38.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.559 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.25 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 153.72 41.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 8.1 pm0 -53.37 144.36 16.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 70.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.526 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 80.7 p -66.06 147.32 98.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -11.8 21.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 2.7 mp0 -62.93 -11.79 20.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -59.34 -29.68 67.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.407 ' CD2' HD12 ' B' ' 21' ' ' ILE . 28.4 t80 -57.66 -14.64 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.407 HD12 ' CD2' ' B' ' 20' ' ' PHE . 3.5 mp -113.63 130.79 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.49 125.55 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 m -66.84 116.84 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.6 pt-20 -78.65 56.19 1.8 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 24' ' ' GLU . 19.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.59 -99.9 0.29 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -103.37 139.66 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.45 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -104.37 130.96 52.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -107.6 148.52 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 35' ' ' VAL . 40.2 mm -110.57 132.06 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.613 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.17 125.71 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -44.75 3.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 54.1 m-85 -104.05 132.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.29 95.92 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 4.5 t80 -86.28 136.78 33.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -53.66 6.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.654 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.99 137.78 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -120.27 -31.36 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.8 143.53 50.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -19.97 49.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 31.5 mt-30 -82.97 -21.83 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.02 146.88 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.9 pp -117.42 113.45 38.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.54 33.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 5.4 p90 -139.24 -176.26 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -122.71 133.6 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.39 135.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.43 -15.3 58.92 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.47 144.86 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.98 135.91 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 52' ' ' ASN . 3.0 mm? -125.67 160.13 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.4 m -115.19 128.46 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.71 131.62 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 77.3 t -114.24 -34.8 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -166.92 161.19 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 t -103.69 149.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 11.6 p -97.3 172.84 7.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -24.59 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -91.5 153.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.06 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.506 1.793 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' B' ' 13' ' ' PRO . 87.3 m-20 -80.82 41.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' B' ' 15' ' ' ARG . 26.5 m95 -146.95 127.04 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 91.2 m-85 -150.23 137.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.4 ttpt -95.04 120.91 36.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.392 1.057 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -132.22 170.09 15.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -119.93 150.9 39.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 3.7 m-20 -86.04 174.4 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -71.88 -11.12 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.15 -11.43 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.5 10.93 55.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -79.06 151.82 31.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -127.43 127.01 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -164.69 170.92 39.99 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.512 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -99.67 148.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 pt -143.43 141.22 18.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.06 131.09 13.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.552 1.817 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.83 -28.47 68.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -3.08 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 7.9 m-85 -120.53 -12.03 8.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.479 HG21 ' N ' ' A' ' 66' ' ' GLN . 2.5 p -145.11 145.37 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.479 ' N ' HG21 ' A' ' 65' ' ' VAL . 1.1 pt20 -109.06 154.78 21.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.5 117.08 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -23.95 51.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.1 Cg_endo -75.04 174.35 12.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.14 42.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.06 150.54 38.07 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.34 175.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' CB ' ' A' ' 46' ' ' ASN . 18.2 Cg_endo -75.05 148.68 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.2 pt-20 -54.76 120.62 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -77.27 90.38 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 30.7 p -79.11 147.86 70.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.95 -18.84 18.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -12.36 21.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.408 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 89.6 p -56.09 -31.29 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -16.45 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.48 131.9 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.19 125.94 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -68.72 118.29 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.61 55.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.5 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.14 -115.79 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' OG1' ' HB ' ' A' ' 38' ' ' ILE . 25.0 p -102.63 140.8 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.09 121.69 43.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 2.3 m -96.93 142.56 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' HG23 ' A' ' 65' ' ' VAL . 1.1 mp -118.73 132.15 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.99 125.18 29.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -51.39 10.34 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 8.3 p90 -143.8 -172.61 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 13.5 t-20 -73.42 150.0 42.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.624 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -124.41 -51.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 111.061 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 19.0 t60 90.8 111.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.65 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' HIS . . . -36.79 131.66 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 t -111.93 -25.68 9.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.492 0.76 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.03 147.38 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.67 -18.37 30.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' CB ' HD11 ' A' ' 59' ' ' ILE . 38.9 mt-30 -88.53 -20.51 24.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 1.6 t70 -78.8 156.37 28.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' HA3' ' A' ' 58' ' ' GLY . 61.2 mt -119.68 100.49 49.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.54 20.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -138.4 -174.34 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.82 152.74 39.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -47.32 141.43 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -19.55 53.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.419 1.075 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -71.61 135.28 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -112.65 139.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 30' ' ' PHE . 6.6 mp -130.05 162.78 27.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.432 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -109.08 133.59 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 ' HB ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -66.27 137.21 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 62.0 t -117.82 -35.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' B' ' 22' ' ' VAL . . . -175.45 159.61 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -97.21 164.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' B' ' 19' ' ' SER . 25.0 p -116.78 173.67 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.24 67.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -91.54 154.74 44.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.627 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.98 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -79.1 40.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 24.2 m95 -142.94 127.11 17.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 89.2 m-85 -153.01 140.62 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -93.76 122.48 36.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -134.1 168.39 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.86 155.9 30.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.216 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' ND2' HD22 ' A' ' 36' ' ' LEU . 14.5 m-80 -96.39 176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -9.96 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 56' ' ' ARG . 8.1 p -83.46 -14.38 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 -2.57 56.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -69.47 150.36 47.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 0.715 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.65 132.05 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -164.77 -161.15 13.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.578 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -111.4 150.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 59' ' ' ILE . 7.0 pt -145.95 132.65 9.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.603 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.6 Cg_endo -74.98 120.83 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.79 -15.46 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -9.48 30.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.624 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 92.0 m-85 -126.3 -2.47 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 2.2 p -144.83 145.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -111.55 154.77 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 113.37 25.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.621 1.201 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -24.93 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 174.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.749 . . . . 0.0 110.972 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.21 34.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.03 150.09 37.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.595 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -50.31 115.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -66.85 91.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.414 1.071 . . . . 0.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.407 HG21 ' O ' ' B' ' 14' ' ' GLU . 1.6 p -73.29 146.15 86.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.96 20.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -15.92 58.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.479 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.9 p -56.76 -29.55 62.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.43 -14.83 8.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.437 HD13 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -114.13 131.73 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 40' ' ' ALA . 21.6 t -89.59 118.73 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -65.93 115.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.4 pt-20 -78.66 54.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . 26.5 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.62 -59.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -67.21 134.64 52.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' CB ' ' HD3' ' A' ' 68' ' ' ARG . 1.2 tt0 -105.23 123.47 47.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 m -96.24 137.36 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.0 mm -107.15 129.36 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . . . -80.52 120.33 24.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' CD2' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -72.45 -49.45 33.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -151.26 -169.78 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -81.74 121.89 26.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.824 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.5 t80 -99.09 110.18 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -41.61 -44.99 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.04 152.39 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -119.7 -36.08 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.409 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.91 148.15 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.4 -13.72 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -87.8 -16.99 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -61.54 -169.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 0.4 OUTLIER -134.33 100.65 12.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 133.47 16.53 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 16' ' ' ALA . 10.6 p90 -139.33 178.75 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 57.3 m -119.15 142.54 47.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 18' ' ' TYR . 1.1 pttt -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.41 -5.9 84.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 17.1 t0 -74.96 147.77 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.8 137.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.4 155.03 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -114.91 132.91 56.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' SER . 40.3 mm -81.72 128.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 93.7 t -104.74 -34.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.38 131.58 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 48' ' ' TYR . 29.6 t -92.36 149.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 44' ' ' ASP . 30.1 p -87.52 174.97 8.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -28.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -100.97 152.51 37.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.695 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -75.01 -63.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 26.9 m-80 -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.599 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -105.55 114.84 29.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.695 ' CD2' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -152.84 152.69 31.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.21 122.9 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.07 169.53 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HD3' ' CG2' ' A' ' 39' ' ' VAL . 16.2 mtpt -125.51 155.96 39.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -100.75 176.29 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -12.72 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 15.5 m -85.4 -8.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.77 63.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.419 1.074 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.42 148.38 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' HG2' ' A' ' 51' ' ' LYS . 1.1 mt-10 -127.87 129.58 47.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 28' ' ' LEU . . . -174.98 171.03 44.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.524 HG21 ' CE3' ' A' ' 47' ' ' TRP . 0.8 OUTLIER -96.7 146.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 28' ' ' LEU . 49.1 pt -135.2 128.43 18.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.538 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.97 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.553 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -60.35 -18.96 53.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' OH ' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -65.57 -10.11 32.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.9 m-85 -126.53 -3.55 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -144.86 155.58 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.82 131.78 49.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 109.07 6.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 14.1 ptt180 -41.32 -31.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 33.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.229 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.16 13.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.397 1.735 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 132.4 15.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.5 38.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.599 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 152.31 40.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -51.67 126.23 17.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.07 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 88.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -73.15 140.51 80.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.483 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -23.68 13.49 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.418 1.746 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.16 -12.31 19.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.427 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -57.0 -31.23 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -55.54 -15.85 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.414 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -115.13 129.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.98 139.2 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -67.81 128.4 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.37 56.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.8 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 38' ' ' ILE . 3.0 p -105.01 140.6 37.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 0.718 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.87 112.1 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 133.58 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 35' ' ' VAL . 10.1 mm -107.24 130.88 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . . . -77.54 128.37 34.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -42.32 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 45.3 m-85 -102.02 170.47 8.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -112.06 74.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 2.6 t80 -80.83 126.97 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -91.04 34.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' CA ' ' OD1' ' A' ' 27' ' ' ASP . . . 58.57 150.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 24' ' ' ALA . 7.0 t -124.45 -34.0 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 23' ' ' THR . . . -114.05 149.71 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.3 -36.5 71.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.349 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.486 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 mm-40 -72.61 -21.41 61.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CA ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -79.95 151.24 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 58' ' ' GLY . 2.3 pp -122.93 121.89 27.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 146.65 32.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 25.1 p90 -139.17 154.25 48.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.6 m -94.83 122.29 37.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.85 146.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.082 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 -24.71 28.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 31' ' ' CYS . 3.6 p-10 -75.19 155.72 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.78 139.29 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -128.2 139.04 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -101.82 134.49 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.419 ' HB ' ' OG1' ' A' ' 12' ' ' THR . 1.1 mp -65.87 133.74 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.8 t -106.7 -32.34 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' CB ' HG13 ' B' ' 22' ' ' VAL . . . -174.1 150.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.87 159.81 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 44' ' ' ASP . 2.8 p -123.01 173.72 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.55 5.5 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.619 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.61 161.33 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.578 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.99 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -87.0 41.95 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.67 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 4.4 m95 -130.95 115.88 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.7 m-85 -143.95 151.09 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.4 tttt -95.85 121.65 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.17 169.58 15.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 48.9 pttt -119.42 157.19 28.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -100.49 179.45 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HE2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.07 -10.66 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG2' ' HE2' ' A' ' 53' ' ' LYS . 46.8 t -83.67 -11.83 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.26 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -71.13 149.06 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.231 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' A' ' 51' ' ' LYS . 11.1 mp0 -119.55 128.24 53.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' N ' HD22 ' A' ' 28' ' ' LEU . . . -166.23 170.55 40.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.558 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.1 mp -96.56 146.45 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.2 pt -137.7 136.11 19.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.08 122.72 7.35 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.56 -18.21 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.95 -8.43 22.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.689 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 19.5 m-85 -127.1 -1.59 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 62' ' ' ALA . 6.2 p -143.87 146.63 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' N ' HG23 ' A' ' 65' ' ' VAL . 1.9 pt20 -113.93 157.23 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.42 114.62 28.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -50.97 -23.72 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.242 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 174.26 13.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.24 20.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.28 176.21 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.67 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -58.55 150.56 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 91.79 7.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.448 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p -78.24 138.02 60.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -21.24 16.21 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.38 -11.89 18.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -57.06 -27.9 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -61.43 -15.59 38.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.43 ' N ' HD12 ' B' ' 21' ' ' ILE . 4.0 mp -115.95 131.52 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.434 HG13 ' CB ' ' A' ' 40' ' ' ALA . 42.8 t -105.08 119.75 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -66.74 139.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 22.0 mt-10 -86.53 54.32 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.15 -20.55 3.37 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.1 p -78.93 139.13 38.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.68 128.94 50.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.03 137.79 34.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mm -109.44 133.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -80.09 122.86 27.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -105.56 -43.25 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 29.8 m-85 -114.15 161.46 17.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.45 104.27 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.75 125.68 45.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -76.68 145.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.0 147.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -114.68 -29.86 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.25 153.24 50.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.77 -33.55 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 1.9 tp60 -81.16 -15.8 54.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.072 . . . . 0.0 110.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -80.37 176.94 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 85.5 mt -134.23 138.97 31.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.078 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 137.61 22.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -117.21 139.23 51.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.0 t -125.89 114.3 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.382 1.051 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -32.14 130.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 -19.58 54.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.06 140.4 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.95 139.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.655 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mp -129.63 165.85 20.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 3.0 m -112.76 134.17 54.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.12 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 94.8 t -115.84 -35.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.3 161.27 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.21 170.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -121.51 172.48 8.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -66.27 -21.71 66.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 5.9 m-20 -92.13 160.66 35.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.592 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.94 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -79.35 47.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.573 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.9 m95 -145.64 125.29 13.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 107.975 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 73.9 m-85 -152.58 143.5 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -93.61 121.98 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -138.15 171.0 15.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.39 1.056 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.8 pttt -119.56 157.98 27.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 11.4 m120 -99.02 177.43 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -72.35 -12.24 61.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 2.3 m -83.43 -8.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 3.3 62.73 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.69 148.96 48.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -137.3 130.76 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -177.34 -167.25 35.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.533 HG21 ' CE3' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -103.48 149.9 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -143.12 142.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.92 116.88 4.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -64.24 -11.43 31.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.56 -10.77 13.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 26.4 m-85 -126.95 -0.97 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 p -143.69 145.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -125.12 150.97 46.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.27 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 109.27 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -50.61 -21.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.28 13.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 151.57 39.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.88 150.56 38.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.71 174.34 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 150.92 39.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -56.01 116.86 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.123 . . . . 0.0 110.392 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -65.44 87.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 14' ' ' GLU . 4.4 p -66.66 148.9 98.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.31 20.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 14.5 mt-10 -61.65 -13.61 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -56.93 -31.32 64.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -16.09 6.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.62 130.54 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -89.83 134.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.02 117.72 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.56 55.33 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.02 8.07 9.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 73.6 p -84.71 137.98 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 0.826 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -108.91 126.66 53.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.11 145.1 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mm -112.4 132.06 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.26 127.67 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -45.19 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 33.6 m-85 -101.91 134.72 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.659 ' ND2' ' HZ1' ' A' ' 32' ' ' LYS . 45.4 t30 -74.16 79.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 5.0 t80 -78.07 97.04 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -47.33 -48.48 25.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.38 151.33 5.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -116.4 -34.94 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -151.47 151.95 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -63.04 -11.58 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -83.16 -21.3 33.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -78.24 -167.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' CB ' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.23 99.08 14.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 4.2 p90 -140.29 -176.03 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -122.72 134.55 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 108.348 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.659 ' HZ1' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -42.39 134.13 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.6 58.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -75.31 143.99 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.67 137.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.67 159.84 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 3.5 m -108.55 134.38 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.51 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 1.9 tp -66.63 136.89 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 19.7 t -109.94 -36.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' B' ' 22' ' ' VAL . . . -176.98 159.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 48' ' ' TYR . 14.5 t -102.78 149.05 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -95.63 172.37 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -62.97 -33.89 76.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 148.11 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.568 ' C ' ' H ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 163.61 35.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' PRO . 5.1 t30 70.41 -39.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CE3' HG23 ' A' ' 59' ' ' ILE . 2.0 m95 -80.27 121.57 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 20.7 m-85 -148.81 144.47 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 39.9 tttt -92.62 121.32 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.505 ' CB ' HD23 ' A' ' 36' ' ' LEU . . . -136.76 169.72 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 5.1 ptmt -119.52 157.33 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -97.83 178.18 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -11.4 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 3.6 m -84.59 -13.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.09 3.12 60.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 2.0 tpt180 -70.32 150.66 46.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.34 127.38 47.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -170.01 171.95 43.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.644 HG23 ' CE3' ' A' ' 47' ' ' TRP . 1.4 mp -95.99 147.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.483 HG23 ' CB ' ' A' ' 28' ' ' LEU . 1.7 pt -141.93 129.96 11.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.2 -17.75 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 66.7 t30 -63.37 -11.29 21.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 73.5 m-85 -125.14 -4.73 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG1' HD13 ' A' ' 60' ' ' ILE . 1.5 p -145.04 146.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.15 152.64 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.57 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -23.52 65.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.992 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.91 42.79 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.394 1.734 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.8 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.06 175.47 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 156.46 43.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.57 1.826 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.1 OUTLIER -56.51 120.08 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.494 ' H ' ' NE ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -65.63 78.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 20.4 p -65.3 136.49 96.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.86 -21.66 15.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 2.0 pm0 -60.4 -11.61 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -31.8 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.84 -15.78 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.438 ' N ' HD12 ' B' ' 21' ' ' ILE . 4.0 mp -115.0 131.87 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 40' ' ' ALA . 55.5 t -99.22 133.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.89 117.16 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.67 55.52 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.8 -4.32 6.99 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 70.1 p -78.36 137.71 38.16 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 0.731 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -112.01 125.23 53.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 p -103.33 153.61 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 15' ' ' ILE . 3.3 mp -118.6 131.77 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.64 ' CB ' ' CD1' ' A' ' 30' ' ' PHE . . . -79.88 138.93 37.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -128.74 -44.37 1.34 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 17' ' ' LYS . 2.6 m-85 -114.86 151.11 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -97.32 109.8 22.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -95.55 -48.51 5.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.8 t-80 86.86 98.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.568 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . -33.36 143.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 24' ' ' ALA . 5.5 t -118.02 -33.25 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.371 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' THR . . . -85.71 154.59 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.82 -28.28 67.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.244 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.535 ' HG2' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.64 -13.65 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -73.29 136.6 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD23 ' ND2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -117.59 129.05 25.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 150.33 37.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 3.3 p90 -139.93 162.48 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 143.71 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 147.57 4.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.53 -23.29 19.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.43 141.21 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.56 138.85 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD22 ' ND2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -129.47 153.06 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 m -107.84 135.79 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.505 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 7.3 tp -66.43 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 97.7 t -113.54 -31.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -175.56 154.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.59 155.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -107.91 169.58 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -44.55 -40.22 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 152.97 42.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.659 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.95 -79.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' PRO . 42.8 m-20 -32.98 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 4.6 m95 -82.43 116.25 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.969 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 64.8 m-85 -133.58 145.35 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -102.03 122.09 43.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.52 169.83 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.64 157.6 30.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' ND2' HD23 ' A' ' 28' ' ' LEU . 2.3 m-80 -95.68 177.31 5.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.88 60.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 56' ' ' ARG . 7.7 p -84.12 -14.16 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.6 1.57 58.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.09 140.54 52.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -116.99 122.21 43.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.01 169.09 36.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.57 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.3 mp -95.91 150.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.7 pt -145.71 131.54 9.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -75.07 120.93 6.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.33 -12.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -13.73 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.375 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 39.8 m-85 -127.48 -0.77 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.504 HG21 ' N ' ' A' ' 66' ' ' GLN . 1.4 p -143.29 145.29 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.504 ' N ' HG21 ' A' ' 65' ' ' VAL . 1.8 pt20 -106.89 153.69 22.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 113.84 27.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.45 -25.4 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.2 Cg_endo -74.98 174.25 13.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 150.47 38.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 156.62 43.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.6 OUTLIER -49.01 132.95 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.485 ' CZ ' ' CD2' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.62 84.66 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 1.1 p -78.76 139.62 58.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.1 Cg_endo -75.06 -21.08 16.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -11.93 30.69 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.418 1.074 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -62.23 -30.04 70.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -57.67 -14.95 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.429 HD11 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -115.18 130.88 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 57.8 t -99.52 124.15 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.7 128.18 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.9 pt-20 -78.47 56.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.24 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 24' ' ' GLU . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 -115.51 0.52 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -105.53 139.33 40.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.55 120.8 38.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 m -99.08 137.27 37.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' CD1' HG23 ' A' ' 35' ' ' VAL . 10.7 mm -106.73 130.83 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.32 134.97 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -41.42 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 89.3 m-85 -103.52 174.87 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' OD1' ' SG ' ' A' ' 31' ' ' CYS . 6.9 t-20 -112.0 95.8 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' PRO . 19.8 t80 -92.63 109.08 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.01 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.72 151.61 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -121.37 -35.09 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.418 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.93 147.91 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -18.11 39.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.513 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -74.28 -23.63 59.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -176.73 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' CD2' ' A' ' 36' ' ' LEU . 2.8 pp -134.3 128.17 19.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.35 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -142.37 164.34 30.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 50.5 m -123.03 151.58 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -50.38 147.82 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.13 -22.51 31.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.1 m-20 -73.33 140.68 46.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.65 137.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD2' HD11 ' A' ' 28' ' ' LEU . 3.6 mp -130.77 156.08 45.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.5 m -109.05 133.1 53.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.9 mm -66.6 130.57 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.4 t -110.03 -35.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.59 160.33 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 42' ' ' THR . 53.5 t -105.42 161.6 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 18.0 p -116.07 172.06 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -10.48 59.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -93.55 154.78 41.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.03 161.62 38.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER 33.65 37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.7 m95 -131.06 117.09 18.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -149.56 143.01 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 24.2 tttt -92.25 122.72 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' THR . . . -133.26 170.32 15.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.04 157.09 33.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -96.41 175.12 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -10.59 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.95 -13.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.66 3.21 57.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.25 143.72 52.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -123.92 122.21 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.05 171.67 41.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 49' ' ' LYS . 2.7 mp -96.56 148.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.741 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.15 136.5 12.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.06 123.75 8.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.44 -11.95 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -9.27 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 21.1 m-85 -125.91 -7.01 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 62' ' ' ALA . 12.1 p -137.76 146.18 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.18 159.66 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -100.44 114.84 28.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.2 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.64 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.23 13.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.66 36.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.93 175.58 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.652 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 151.21 39.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.466 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 2.9 pm0 -54.14 147.1 13.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.215 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.598 ' HE ' ' N ' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -98.15 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.4 p -68.5 147.08 98.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.83 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.72 -12.57 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.0 t -56.51 -32.07 64.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -15.81 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.21 130.94 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.1 t -98.44 126.13 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.234 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.12 117.73 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.68 55.23 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 p -95.36 139.68 31.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -115.76 135.85 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.234 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 60' ' ' ILE . 3.5 p -120.06 151.34 39.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.782 HG13 HG23 ' A' ' 35' ' ' VAL . 4.4 mp -120.72 134.63 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.93 129.51 34.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -87.76 -42.21 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -114.45 177.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -106.35 72.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 65.1 t80 -80.35 122.18 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -172.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.6 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.59 134.82 13.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -116.74 -28.55 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.52 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.23 -25.57 61.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.81 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.75 -22.16 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.41 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.8 pp -127.76 130.2 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 156.42 42.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 20' ' ' PHE . 2.5 p90 -139.47 173.42 11.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' LYS . 53.9 m -123.22 126.32 46.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -36.09 124.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.34 -11.68 51.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.87 144.57 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.53 137.81 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 60' ' ' ILE . 1.3 mp -130.5 143.55 50.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.546 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -103.17 131.63 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.8 mp -69.07 130.97 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.824 HG21 ' HD3' ' A' ' 51' ' ' LYS . 44.1 t -113.9 -33.19 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.13 160.96 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' ' 48' ' ' TYR . 28.0 t -104.33 147.76 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.409 HG21 HG21 ' A' ' 59' ' ' ILE . 13.2 p -95.07 171.01 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.1 tptt -45.94 -37.0 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.596 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.2 OUTLIER -93.72 156.49 39.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.655 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 -82.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 45' ' ' PRO . 15.7 m120 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.801 ' CE3' HG22 ' A' ' 59' ' ' ILE . 8.6 m95 -81.74 119.43 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 85.1 m-85 -137.51 146.45 44.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.063 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.9 tttp -98.41 121.91 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.27 169.87 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.824 ' HD3' HG21 ' A' ' 39' ' ' VAL . 13.9 mtpp -116.49 157.72 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -94.19 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -13.24 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m -85.77 -6.76 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.98 11.84 58.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -78.52 151.55 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -125.85 126.46 44.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -168.83 166.22 39.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 26' ' ' GLN . 2.0 mp -94.93 147.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 65' ' ' VAL . 5.9 pt -141.01 142.64 28.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.5 Cg_endo -74.98 124.87 8.95 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -65.57 -25.36 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -71.68 -2.54 17.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -118.1 -2.35 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -144.0 175.08 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -125.05 135.69 52.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.535 ' NZ ' ' CD2' ' A' ' 48' ' ' TYR . 1.5 ttmt -95.53 110.54 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 149.97 37.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.837 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.99 175.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 155.72 43.07 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.68 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -50.8 135.42 23.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.808 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.33 94.06 8.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.596 HG21 ' OD1' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -87.13 141.68 33.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.13 20.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 4.1 mm-40 -61.88 -13.06 21.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -57.09 -28.14 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.44 -12.94 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.66 132.15 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 48.8 t -104.14 124.52 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.87 129.06 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 14.9 pt-20 -78.46 56.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.1 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.445 ' OG1' ' CG1' ' A' ' 38' ' ' ILE . 5.3 p -78.98 139.32 38.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 35' ' ' VAL . 12.4 tt0 -104.19 120.55 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 38' ' ' ILE . 14.1 m -97.71 142.77 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 108.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.938 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -114.1 133.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.4 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -118.88 -39.37 2.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.452 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 31.4 m-85 -104.57 174.68 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -125.11 63.96 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.711 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -86.25 134.33 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.565 ' O ' ' CZ ' ' A' ' 20' ' ' PHE . 9.9 m-70 -72.48 -173.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.2 141.02 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.67 HG21 HD11 ' B' ' 12' ' ' LEU . 12.2 t -117.14 -32.69 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.23 147.79 48.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -16.72 50.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.776 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm100 -94.98 -21.73 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.61 145.73 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.707 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.5 pp -116.04 119.76 36.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.37 30.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.9 p90 -139.3 175.56 9.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -122.69 149.58 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.35 138.98 20.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.34 -19.7 52.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.418 1.074 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.3 m-20 -74.21 139.32 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.938 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.21 137.33 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 28' ' ' LEU . 4.6 mp -130.3 157.75 41.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.5 m -113.32 136.44 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.578 HD11 ' SG ' ' A' ' 14' ' ' CYS . 28.6 mm -65.68 131.39 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.203 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.9 t -112.18 -33.72 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -173.53 152.06 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG13 ' HD1' ' A' ' 48' ' ' TYR . 9.8 t -99.64 150.14 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 p -99.05 172.15 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.47 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.43 146.04 31.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.593 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.4 Cg_endo -74.97 156.54 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.43 1.752 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.799 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 9.1 t30 75.09 -33.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.828 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.25 118.16 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 14.5 m-85 -145.31 139.11 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.9 ttpt -93.16 121.73 34.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.493 1.121 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.55 168.82 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.05 157.13 27.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 22.5 p30 -101.65 179.76 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -10.0 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.1 t -83.56 -13.49 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.07 -5.86 68.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -69.92 149.65 47.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.6 126.56 44.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.707 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -157.46 171.29 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.828 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.2 mp -97.42 145.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' LEU . 32.2 pt -146.13 131.23 9.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.06 130.12 12.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.799 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -61.04 -12.85 13.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.39 -14.47 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.711 ' CE2' ' CG ' ' A' ' 20' ' ' PHE . 21.4 m-85 -126.06 -1.62 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.7 p -143.77 145.56 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -110.3 155.92 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 110.48 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -74.95 151.38 39.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.69 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.05 174.26 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 157.0 42.92 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.568 1.825 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.559 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.0 OUTLIER -65.93 122.59 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.203 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.84 82.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.559 HG22 ' HG3' ' B' ' 14' ' ' GLU . 15.5 p -66.59 147.38 99.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.462 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -74.95 -16.79 20.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.72 -13.2 20.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -56.74 -32.14 65.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.458 ' C ' HD12 ' B' ' 21' ' ' ILE . 9.3 m-85 -55.59 -16.91 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.577 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.7 mp -114.01 130.87 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 90.4 t -100.62 121.9 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.71 116.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.2 pt-20 -78.62 54.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 p -67.49 138.23 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 128.81 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.74 ' HB2' HG22 ' A' ' 65' ' ' VAL . 14.6 p -101.53 151.49 21.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.754 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -114.4 133.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.942 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -81.55 132.12 35.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 -42.19 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 18.9 m-85 -108.17 137.96 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -87.96 115.44 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 22.7 t80 -124.66 131.68 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.488 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -68.57 178.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.66 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 141.94 19.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 t -118.63 -31.15 4.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.776 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.5 148.05 52.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.43 -33.24 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.868 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.5 mt-30 -76.89 -22.04 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.7 158.32 25.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.685 ' HG ' HG23 ' A' ' 60' ' ' ILE . 1.9 pp -129.23 145.63 57.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 141.57 26.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.942 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.99 142.38 45.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.8 p -124.07 110.1 14.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -35.71 134.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.95 -26.35 24.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.63 148.49 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.33 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 18.3 mt -124.16 158.47 32.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.69 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -116.56 132.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.18 125.11 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 40.7 t -107.57 -35.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -172.2 159.4 4.82 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 t -103.58 152.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 p -104.62 171.28 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -39.0 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.1 OUTLIER -92.77 151.51 40.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' PRO . 3.8 m120 -33.15 -36.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.643 1.215 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.819 ' CE3' HG22 ' A' ' 59' ' ' ILE . 10.3 m95 -80.57 125.6 30.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 79.7 m-85 -141.86 144.97 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 6.0 tttm -103.29 122.43 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -137.53 169.5 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 43.3 pttt -126.3 148.96 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.789 ' ND2' HD21 ' A' ' 36' ' ' LEU . 1.2 m120 -86.42 176.0 8.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -71.22 -8.96 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG22 ' CE ' ' A' ' 53' ' ' LYS . 19.9 t -82.49 -14.4 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.13 58.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.7 mpt_? -69.42 136.83 52.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 0.728 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.25 123.68 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -160.7 167.82 35.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.7 mp -95.95 143.2 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 65' ' ' VAL . 1.7 pp -141.86 137.63 16.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.01 129.61 12.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -63.04 -11.67 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -62.14 -11.6 15.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.9 m-85 -128.57 -0.29 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.754 HG23 ' C ' ' A' ' 15' ' ' ILE . 9.8 p -144.21 145.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -127.08 142.58 51.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.3 ttpt -72.19 114.93 10.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.28 37.77 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.867 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.52 174.86 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 151.45 39.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.522 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -51.28 123.99 10.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.455 HH21 ' CB ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -73.18 91.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.522 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.5 p -76.44 143.75 73.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.07 -18.4 18.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -62.75 -13.39 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.455 ' CB ' HH21 ' B' ' 15' ' ' ARG . 70.5 m -58.71 -30.3 67.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.36 -15.64 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.418 ' N ' HD12 ' B' ' 21' ' ' ILE . 4.2 mp -114.4 130.98 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 40' ' ' ALA . 86.3 t -109.36 124.41 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.401 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -66.79 117.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.1 pt-20 -78.61 56.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -79.43 134.02 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.4 tt0 -108.54 127.45 53.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.94 147.76 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.776 HD13 HG23 ' A' ' 35' ' ' VAL . 14.0 mm -116.27 128.45 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.672 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.68 136.6 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.58 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -116.43 -41.29 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.58 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 68.2 m-85 -110.13 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -116.72 76.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -91.75 120.87 32.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.563 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 31.3 m170 -59.37 175.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.565 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -77.41 146.3 31.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -115.57 -33.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.09 152.92 46.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.41 -36.38 66.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.215 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.805 ' O ' HD12 ' A' ' 59' ' ' ILE . 37.7 mt-30 -77.79 -21.35 51.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -79.67 135.69 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -114.19 120.41 38.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.96 141.41 26.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.672 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 18.2 p90 -132.33 159.17 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LYS . 80.7 m -108.64 136.28 48.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.52 145.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.41 35.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -74.27 147.6 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.42 134.74 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.829 HD22 HD13 ' A' ' 60' ' ' ILE . 3.6 mp -130.92 121.67 25.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.53 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 m -88.88 135.83 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 50' ' ' ALA . 39.9 mm -65.46 129.31 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 55.0 t -104.11 -35.41 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -169.19 146.81 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.03 155.92 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 44' ' ' ASP . 1.7 p -118.73 173.97 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.95 5.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.99 161.5 38.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.586 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.98 -90.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 95.2 m-20 -86.64 41.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.772 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.1 m95 -131.22 115.84 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.9 m-85 -143.87 152.32 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -96.6 122.1 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.63 170.04 14.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.5 pttm -120.42 157.71 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.02 176.75 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -11.28 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.97 -14.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.58 2.68 57.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -69.96 151.12 45.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.78 134.87 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.537 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -177.4 170.75 43.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -96.62 146.75 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.829 HD13 HD22 ' A' ' 36' ' ' LEU . 28.8 pt -138.72 136.21 18.5 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.371 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.7 Cg_endo -74.96 116.35 4.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -55.38 -16.45 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -12.83 13.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 58.5 m-85 -128.47 0.75 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 62' ' ' ALA . 2.2 p -143.16 145.67 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -114.53 153.99 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -100.34 114.7 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 150.36 38.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.831 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.92 176.06 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 157.23 42.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -57.56 153.0 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.237 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.16 87.39 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.8 p -72.3 136.96 81.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.87 14.38 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.21 -11.66 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 5.2 t -57.07 -25.55 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -10.82 14.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.53 131.61 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 38.8 t -111.62 124.32 68.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.67 117.94 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.0 pt-20 -78.64 55.48 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 p -80.96 134.47 35.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.81 126.27 45.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 136.09 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -106.57 130.77 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.49 124.94 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -107.01 -43.49 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 17.5 m-85 -113.64 133.27 55.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.09 93.81 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.372 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 30.4 t80 -93.65 135.47 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 178.24 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 125.42 25.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 20' ' ' PHE . 5.2 t -115.88 -14.05 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.71 25.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -56.34 -28.21 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.736 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.94 -20.79 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.11 136.75 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.752 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.37 121.94 32.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.76 23.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.2 p90 -118.73 178.1 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 4.7 m -116.18 121.21 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -44.17 138.25 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.77 -27.3 21.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 56.6 p30 -77.59 147.58 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.55 138.27 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.22 168.75 16.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 6.5 m -111.88 135.56 52.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.937 HD13 ' HB2' ' A' ' 50' ' ' ALA . 27.1 mm -73.23 137.83 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.4 t -104.73 -33.62 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.067 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.04 161.96 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.775 HG13 ' CD1' ' A' ' 48' ' ' TYR . 59.8 t -102.82 155.34 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 34.6 p -99.71 172.51 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -73.85 -20.53 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 14' ' ' GLU . 0.9 OUTLIER -91.93 153.13 43.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 170.03 21.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER 38.36 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 7.6 m95 -133.67 123.2 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.956 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.775 ' CD1' HG13 ' A' ' 41' ' ' VAL . 16.1 m-85 -152.32 140.73 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.5 ttpp -92.31 122.42 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.374 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.79 169.66 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.16 156.85 31.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 3.9 p30 -98.74 176.63 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -9.31 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -82.35 -13.53 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.72 -4.58 69.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -70.36 143.28 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -117.39 124.94 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.45 172.37 36.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.582 1.176 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -96.44 150.33 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.006 HD12 HG11 ' A' ' 65' ' ' VAL . 5.8 pt -146.29 132.54 9.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 122.86 7.5 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -58.71 -16.1 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.64 -11.74 18.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 72.4 m-85 -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 60' ' ' ILE . 2.5 p -144.75 145.01 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.65 152.43 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -99.48 114.56 27.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.08 149.75 36.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.897 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 149.43 36.7 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 4.4 pt-20 -54.56 127.74 29.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 79.4 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.46 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 69.1 p -64.8 145.89 98.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.462 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.55 21.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 57.2 mm-40 -60.54 -13.44 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 p -56.04 -34.07 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.001 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.538 ' C ' HD12 ' B' ' 21' ' ' ILE . 25.2 m-85 -54.51 -17.95 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 111.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.645 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -115.15 130.53 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.439 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 46.1 t -96.19 126.44 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 2.5 m -66.72 119.92 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.1 pt-20 -78.73 56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -67.07 138.97 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 3.3 pt-20 -128.46 140.39 51.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.784 ' HB3' HG22 ' A' ' 65' ' ' VAL . 20.3 m -98.29 151.34 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 35' ' ' VAL . 14.9 mm -115.96 133.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 135.17 36.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -40.84 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 43.3 m-85 -103.16 150.6 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 91.92 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.724 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 13.6 t80 -92.34 127.9 37.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -67.81 -62.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.67 155.2 7.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.499 HG21 HD11 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -118.96 -35.94 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.368 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . . . -148.54 157.12 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.41 -6.08 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 5.0 mt-30 -86.43 -21.02 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 16.9 p30 -79.58 176.74 9.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 28' ' ' LEU . 11.8 mt -126.69 99.34 29.84 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.08 17.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 36' ' ' LEU . 5.5 p90 -140.75 -174.28 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' LYS . 3.6 m -118.18 134.83 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.61 125.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.0 -8.1 35.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -75.55 150.76 38.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.0 137.71 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 60' ' ' ILE . 1.7 mp -131.04 149.48 52.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.224 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.657 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m -106.83 135.25 48.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' SG ' ' A' ' 14' ' ' CYS . 25.3 mm -66.59 129.34 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 51.9 t -113.01 -35.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . . . -175.19 151.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -94.77 159.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 p -111.48 167.5 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.13 -40.71 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.338 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.75 153.93 41.03 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.708 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.03 -82.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.569 ' C ' ' O ' ' A' ' 45' ' ' PRO . 17.3 m-20 -27.2 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.803 ' CE3' HG22 ' A' ' 59' ' ' ILE . 6.7 m95 -80.1 123.3 27.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.708 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 67.2 m-85 -141.2 146.22 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.924 ' HE2' ' HB3' ' A' ' 40' ' ' ALA . 4.2 ttpt -103.05 122.92 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -139.08 171.18 14.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -113.87 157.77 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 36' ' ' LEU . 4.6 m-20 -98.22 177.52 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -10.75 60.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 22.3 m -84.21 -14.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.93 -0.04 57.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 151.4 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.96 124.82 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -162.41 -164.03 16.49 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -109.2 151.52 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.042 HD12 HG11 ' A' ' 65' ' ' VAL . 5.3 pt -146.63 129.03 7.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.1 122.61 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -59.71 -13.34 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -58.2 -16.23 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.5 m-85 -127.03 -1.62 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 60' ' ' ILE . 7.7 p -144.8 145.89 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -121.32 155.49 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.23 110.96 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.974 0 N-CA-C 111.022 -0.414 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 150.22 37.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.851 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.32 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 152.04 40.2 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.6 pt-20 -52.05 117.29 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -70.93 87.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.294 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.48 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.3 p -68.21 144.72 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.6 Cg_endo -74.95 -20.7 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.74 -13.41 32.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -56.87 -28.59 62.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.62 ' HB3' HD12 ' B' ' 21' ' ' ILE . 20.3 t80 -59.56 -14.11 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.38 131.63 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.836 HG11 ' HB1' ' A' ' 40' ' ' ALA . 76.9 t -110.21 132.52 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -69.75 117.76 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.5 pt-20 -78.64 55.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 24' ' ' GLU . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -104.56 138.2 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.67 112.33 24.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.652 ' HB3' HG22 ' A' ' 65' ' ' VAL . 8.2 m -102.6 147.98 26.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.766 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -116.13 139.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.29 120.57 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -96.4 -45.98 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 9.3 m-85 -109.23 139.32 44.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -74.95 88.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 12.9 t80 -90.68 129.94 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -93.26 153.53 18.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.57 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -40.31 124.9 2.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 ' CG ' ' A' ' 27' ' ' ASP . 14.5 t -112.52 -26.07 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.475 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.46 152.34 39.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -34.29 59.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -86.4 -20.71 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' A' ' 23' ' ' THR . 25.8 t0 -54.46 169.76 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -133.6 100.0 13.89 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -75.04 133.8 16.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 25.9 p90 -139.67 179.79 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.31 131.94 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 144.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.79 -21.83 39.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.3 147.87 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 0.808 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.6 137.16 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.52 154.01 49.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.4 m -111.46 134.44 53.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.384 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 50' ' ' ALA . 9.3 mm -66.58 138.02 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 51' ' ' LYS . 60.2 t -113.0 -33.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.98 160.83 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 42' ' ' THR . 88.8 t -101.92 167.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 41' ' ' VAL . 29.4 p -120.42 168.27 11.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.72 -36.21 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -92.34 147.67 34.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.694 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.04 -79.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 m120 -33.54 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 59' ' ' ILE . 9.5 m95 -84.69 127.05 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 108.058 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.694 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 90.0 m-85 -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.2 tttt -100.74 122.22 42.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.977 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -138.39 170.36 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HB3' HG21 ' A' ' 39' ' ' VAL . 10.7 ptmt -114.75 155.67 26.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 5.6 p-10 -97.04 179.32 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 2.3 tmtm? -69.42 -11.06 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.18 -9.53 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.26 83.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 34.3 ttt180 -70.13 147.58 49.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -115.98 122.65 45.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.605 ' HA3' HD23 ' A' ' 28' ' ' LEU . . . -155.77 171.49 33.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -97.29 146.02 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.756 HD13 HG11 ' A' ' 65' ' ' VAL . 2.2 pp -146.56 131.72 9.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.01 126.68 10.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.44 -14.25 4.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.78 -7.56 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.619 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 57.2 m-85 -127.75 -1.22 6.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 15' ' ' ILE . 15.0 p -144.12 146.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -122.45 155.44 36.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.09 110.66 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.738 ' CG ' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.99 150.39 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.86 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.4 175.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.07 155.82 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.641 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.5 OUTLIER -49.94 130.66 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.86 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -81.59 89.82 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.592 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.0 OUTLIER -82.54 137.89 44.61 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.06 -22.39 14.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -64.31 -11.62 33.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 1.2 t -63.0 -27.75 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.516 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -59.44 -13.41 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -114.06 131.2 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.567 HG11 ' HB1' ' A' ' 40' ' ' ALA . 80.7 t -104.06 133.15 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.35 123.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.1 pt-20 -78.2 55.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -98.38 139.39 34.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 0.785 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 118.46 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HB3' HG22 ' A' ' 65' ' ' VAL . 10.5 m -98.29 140.89 31.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 108.352 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 HG23 ' A' ' 35' ' ' VAL . 8.3 mm -106.26 135.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.6 125.81 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.612 ' CE ' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -110.56 -42.99 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.612 ' CE1' ' CE ' ' A' ' 17' ' ' LYS . 7.2 m-30 -97.07 -175.27 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -119.98 72.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.635 1.21 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.7 t80 -83.3 115.74 22.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -89.24 41.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.629 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 59.69 145.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -110.75 -33.25 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.48 153.19 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.97 -24.86 59.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 tp60 -78.22 -20.57 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -77.79 -171.32 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.633 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -133.19 101.37 13.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 60' ' ' ILE . 10.1 p90 -141.06 173.27 11.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -115.28 146.98 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 141.6 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.81 -17.59 52.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.02 144.81 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.889 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.43 138.34 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.6 HD23 ' OD1' ' A' ' 52' ' ' ASN . 3.7 mp -130.09 157.67 41.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.0 m -116.12 131.39 56.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.078 HD13 ' HB2' ' A' ' 50' ' ' ALA . 34.3 mm -70.76 132.31 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.95 -31.7 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -168.58 156.21 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -99.37 160.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -111.0 169.76 8.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -37.3 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.08 153.06 43.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.654 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.91 -81.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 29.5 m-20 -33.04 -35.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.87 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.8 m95 -80.73 119.45 23.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.048 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 70.8 m-85 -136.63 141.85 43.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -94.15 121.89 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.078 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -135.48 171.46 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -125.2 157.82 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.633 ' OD1' HD13 ' A' ' 28' ' ' LEU . 2.8 m120 -96.5 177.42 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -10.91 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.86 -12.45 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.73 3.72 60.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.17 141.75 52.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -118.46 120.07 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -160.67 171.93 36.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.87 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.8 mp -95.41 144.75 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 4.4 tt -136.97 129.91 17.33 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.51 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 121.54 6.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.08 -16.65 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -63.0 -10.31 13.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 51.9 m-85 -125.88 -4.72 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.668 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.4 p -144.76 146.22 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -111.05 157.2 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 113.69 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.389 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -75.02 150.4 38.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.867 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.43 175.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.93 155.13 43.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.694 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.4 OUTLIER -50.32 135.66 21.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.867 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -86.57 74.58 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.55 HG22 ' HG3' ' B' ' 14' ' ' GLU . 6.9 p -72.03 140.89 83.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -75.0 -19.88 17.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -13.19 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.72 -26.14 66.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.6 -11.65 12.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.416 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -113.82 132.04 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.432 HG11 ' HB1' ' A' ' 40' ' ' ALA . 71.9 t -101.08 128.96 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.423 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.5 m -66.74 129.48 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.5 pt-20 -78.4 55.92 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 28.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -84.8 136.55 33.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 0.821 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -106.96 124.02 49.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HB2' HG22 ' A' ' 65' ' ' VAL . 29.5 p -107.77 141.39 39.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.985 HD13 HG23 ' A' ' 35' ' ' VAL . 3.7 mm -111.07 128.39 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.398 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -82.87 128.7 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HE2' ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.72 -36.76 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 17' ' ' LYS . 60.0 m-85 -89.91 162.99 15.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -103.19 81.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 16.8 t80 -97.77 120.53 38.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' GLY . 78.3 m-70 -89.23 37.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 55.4 163.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -117.65 -34.75 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -20.91 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -77.02 -21.11 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.523 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.87 -170.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.847 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -132.47 99.89 15.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.78 13.61 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.8 p90 -140.38 -179.98 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -118.49 131.31 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' CYS . 15.9 pttp -39.69 128.74 2.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.12 -13.25 52.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -75.46 151.91 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.985 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD23 ' OD1' ' A' ' 52' ' ' ASN . 1.1 mp -131.76 151.82 51.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.439 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -113.46 131.23 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.941 HD13 ' HB2' ' A' ' 50' ' ' ALA . 28.4 mm -67.79 133.51 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.0 t -110.85 -30.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.8 154.21 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.231 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.5 158.39 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -109.4 167.06 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -35.78 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.722 ' OD1' HG21 ' B' ' 16' ' ' THR . 1.1 m-20 -92.61 151.85 41.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -82.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 3.1 m120 -32.99 -35.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.815 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -81.92 119.39 23.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 58.7 m-85 -135.56 144.33 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.66 122.51 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.941 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -137.3 169.95 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 3.4 pttt -119.27 157.86 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.847 ' OD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-20 -95.2 176.98 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -10.91 60.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.2 -13.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.74 1.72 60.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.96 118.77 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -157.78 168.44 34.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.589 1.18 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.815 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -95.56 146.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.93 HD12 HG11 ' A' ' 65' ' ' VAL . 1.3 pt -144.82 129.97 9.32 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.586 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 127.74 10.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.04 -15.76 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -13.25 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 11.0 m-85 -121.49 -9.08 9.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.81 145.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -103.04 153.8 19.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 115.79 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.91 150.36 38.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.871 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.05 174.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 153.47 42.02 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.501 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -50.54 120.72 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 89.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.722 HG21 ' OD1' ' A' ' 44' ' ' ASP . 4.2 p -75.81 136.99 69.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.47 11.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -66.02 -9.38 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -66.08 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 26' ' ' GLN . 2.7 m-85 -59.78 -13.87 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.544 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -114.68 131.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 40' ' ' ALA . 75.9 t -102.32 132.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.9 m -66.79 117.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.8 pt-20 -78.67 55.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -102.98 139.37 38.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.7 111.79 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -96.69 142.25 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 35' ' ' VAL . 13.5 mm -114.8 130.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.751 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.55 136.89 36.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 -42.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 54.0 m-85 -109.53 155.33 21.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -96.42 82.65 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 20.1 t80 -78.34 119.24 21.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.13 -55.83 29.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.57 157.37 7.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -125.53 -36.75 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.68 157.63 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.21 -22.63 65.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.994 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -83.19 -13.18 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -76.45 150.93 36.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.5 pp -123.6 109.08 30.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.58 34.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 5.7 p90 -138.94 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.8 132.33 55.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.9 140.19 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.78 -20.18 51.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.51 151.38 37.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.63 137.77 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -130.73 153.13 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.14 125.78 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 50' ' ' ALA . 39.1 mm -67.38 134.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.1 t -112.92 -29.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -166.45 159.04 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 42' ' ' THR . 74.7 t -106.27 167.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 41' ' ' VAL . 18.3 p -115.43 172.09 7.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -72.99 -11.01 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.6 m-20 -91.98 166.53 17.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.03 -81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.567 ' CG ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 m-20 -75.52 52.51 0.64 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 23.6 m95 -142.71 119.59 11.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 28.1 m-85 -150.99 140.16 21.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 22.2 tttp -94.11 122.0 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.926 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -132.71 169.65 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -121.0 157.3 30.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 11.8 p30 -100.84 179.43 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -9.85 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.7 t -82.91 -13.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.47 -3.91 69.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -70.36 145.75 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -123.85 126.33 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.66 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.21 174.77 36.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.994 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -96.45 150.53 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 HG11 ' A' ' 65' ' ' VAL . 14.3 pt -145.03 133.16 10.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.93 124.02 8.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.567 ' HB3' ' CG ' ' A' ' 46' ' ' ASN . . . -56.17 -17.73 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.62 -12.54 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 26.3 m-85 -126.39 -2.73 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 60' ' ' ILE . 2.6 p -144.16 146.22 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.45 152.93 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.91 111.99 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.66 38.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.815 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.76 174.7 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.6 Cg_endo -74.94 151.01 39.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.547 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.7 pt-20 -53.78 122.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.4 88.39 3.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.603 HG23 ' OD2' ' A' ' 44' ' ' ASP . 42.9 p -76.78 146.92 77.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -74.99 -18.25 18.91 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.819 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 1.1 mp0 -62.53 -12.93 25.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -57.24 -30.41 64.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -57.41 -15.33 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.461 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -113.79 131.3 66.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 69.3 t -94.52 133.06 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.7 m -77.22 128.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 7.9 pt-20 -78.44 55.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 p -105.12 131.42 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -110.63 126.23 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 25.5 m -104.07 148.95 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.814 HD13 HG23 ' A' ' 35' ' ' VAL . 10.5 mm -113.13 130.28 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.66 135.5 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.68 -43.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.6 m-85 -88.34 127.66 35.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -77.31 108.25 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.3 t80 -118.94 139.23 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -101.22 29.9 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.655 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . 65.52 141.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.605 HG21 HD11 ' B' ' 12' ' ' LEU . 7.4 t -120.22 -32.39 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.08 144.54 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.94 -27.61 61.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.832 ' O ' HD12 ' A' ' 59' ' ' ILE . 14.8 mt-30 -81.66 -21.25 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.04 153.71 32.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.926 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -122.18 117.15 29.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.93 144.62 30.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.931 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 15.1 p90 -139.66 174.16 10.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' LYS . 7.6 m -113.71 127.78 56.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.245 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' CYS . 11.8 pttt -37.26 126.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.03 -14.44 28.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 151.6 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.814 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.01 137.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.71 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -131.72 130.84 42.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 9.3 m -93.62 131.53 38.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.16 130.76 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.834 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.8 t -113.34 -33.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' CE ' ' A' ' 49' ' ' LYS . . . -169.32 159.85 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 48' ' ' TYR . 94.4 t -104.26 158.13 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 p -102.47 172.3 6.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -43.61 -38.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.76 155.09 39.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.653 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.84 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' PRO . 5.1 m120 -31.48 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.791 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.8 m95 -82.55 120.22 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 72.0 m-85 -136.76 144.1 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.726 ' CE ' ' HB3' ' A' ' 40' ' ' ALA . 19.9 ttpt -98.72 121.95 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.74 170.16 15.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' VAL . 11.8 mtpp -116.44 156.01 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' OD1' HD22 ' A' ' 28' ' ' LEU . 15.7 m120 -95.16 171.5 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -11.54 60.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.7 t -84.75 -12.66 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.97 52.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER -84.2 150.5 25.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.49 125.31 49.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.361 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.862 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -162.71 166.08 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.6 mp -96.28 150.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.869 HD12 HG11 ' A' ' 65' ' ' VAL . 6.7 pt -144.11 136.28 13.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.93 127.42 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.65 -23.05 66.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -71.56 -0.52 10.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 18' ' ' TYR . 4.1 m-85 -121.09 -8.15 9.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.869 HG11 HD12 ' A' ' 60' ' ' ILE . 1.7 m -143.95 168.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.526 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -135.86 136.45 40.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 111.44 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.6 Cg_endo -74.9 151.23 39.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.693 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.7 175.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 155.76 42.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.757 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.3 OUTLIER -51.58 140.06 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.757 HH21 ' HA ' ' B' ' 14' ' ' GLU . 0.3 OUTLIER -91.79 88.28 6.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.594 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -81.23 142.28 50.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.368 1.042 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 17.9 Cg_endo -75.08 -18.62 18.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -63.02 -12.14 23.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD12 ' B' ' 21' ' ' ILE . 27.6 t80 -60.75 -12.67 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.33 132.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.595 HG11 ' HB1' ' A' ' 40' ' ' ALA . 96.5 t -103.97 124.69 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.5 128.51 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 25' ' ' GLU . 6.6 pt-20 -78.48 56.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.3 tm-20 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA3' ' CG2' ' A' ' 37' ' ' THR . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' THR . 80.8 p -65.35 138.13 57.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -80.81 114.59 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -100.34 135.51 41.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 HG23 ' A' ' 35' ' ' VAL . 2.1 mm -106.93 128.76 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 139.23 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -44.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 20.2 m-85 -111.4 132.9 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -79.84 102.15 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.648 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 39.8 t80 -106.09 126.46 52.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 32.6 t-80 -71.06 167.92 18.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.643 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG ' ' A' ' 21' ' ' HIS . . . -72.33 139.47 28.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.653 1.221 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.447 HG21 HD11 ' B' ' 12' ' ' LEU . 8.7 t -116.84 -31.78 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.11 50.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -55.29 -36.98 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' ILE . 4.3 mt-30 -77.01 -20.46 55.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -78.57 141.19 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.03 119.84 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.54 23.07 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.778 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -136.9 149.85 47.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -96.35 146.52 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 149.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.7 -26.67 11.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.01 140.34 54.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 35' ' ' VAL . 4.6 mp -131.88 143.19 49.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.729 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 46.7 m -97.98 136.66 37.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.27 135.01 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.9 t -115.15 -35.68 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.6 161.42 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 42' ' ' THR . 84.8 t -102.46 168.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.545 ' N ' HG12 ' A' ' 41' ' ' VAL . 11.8 p -124.31 172.32 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE3' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -75.11 -15.25 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -91.86 151.38 42.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 163.4 35.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER 37.92 31.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.761 ' CE3' HG22 ' A' ' 59' ' ' ILE . 12.4 m95 -126.64 121.08 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 24.1 m-85 -150.66 139.86 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.8 tttm -91.9 122.08 34.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.7 170.06 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -122.72 157.33 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' CB ' HG22 ' A' ' 54' ' ' VAL . 10.4 m120 -97.58 176.93 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 56' ' ' ARG . 5.0 m -83.85 -13.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.44 1.49 59.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.31 149.76 47.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -129.6 132.96 46.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -171.2 174.19 44.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -98.97 146.31 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.709 HD13 HG11 ' A' ' 65' ' ' VAL . 1.9 pp -145.38 134.76 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.0 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.756 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -62.54 -12.0 19.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -11.94 14.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.648 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 58.4 m-85 -126.9 -0.62 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.6 p -142.89 146.08 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 154.78 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -100.4 116.9 33.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.0 Cg_endo -74.98 150.67 38.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.778 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.94 175.44 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.65 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.08 151.02 38.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.5 pt-20 -53.94 145.07 17.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.432 ' NH2' ' OG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -95.38 89.97 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.475 HG23 ' OD2' ' A' ' 44' ' ' ASP . 1.3 p -73.99 147.38 86.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.454 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.94 -21.28 16.15 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.513 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.65 -12.24 32.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.432 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 15.8 p -59.18 -30.19 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' B' ' 21' ' ' ILE . 4.7 t80 -56.24 -16.12 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -111.01 130.93 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.437 HG11 ' HB1' ' A' ' 40' ' ' ALA . 28.3 t -105.95 120.8 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 43' ' ' LYS . 1.1 m -66.61 129.44 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.9 pt-20 -78.19 56.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.4 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.208 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -89.92 139.46 30.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.455 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.85 127.6 44.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.212 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.3 m -100.59 156.38 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 10.4 mm -119.24 133.59 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.78 126.74 31.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 -44.39 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 22.2 m-85 -106.35 134.31 49.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -74.32 79.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.613 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 6.1 t80 -77.6 108.98 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.94 -47.61 80.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.15 149.48 5.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 -34.17 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -132.44 144.34 50.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.13 -13.61 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.776 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.83 -15.1 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -62.98 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -134.75 98.38 13.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -140.77 177.55 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.9 m -122.99 137.3 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 108.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.68 138.36 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.29 -21.23 46.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.62 147.88 39.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.34 136.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.57 157.43 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.489 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -108.34 128.59 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.911 HD11 ' HB3' ' A' ' 48' ' ' TYR . 4.5 tp -68.46 138.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -109.15 -35.83 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.221 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.37 161.8 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.651 HG22 ' HD1' ' A' ' 48' ' ' TYR . 96.9 t -95.26 163.57 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' HG12 ' A' ' 41' ' ' VAL . 41.3 p -110.63 173.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.4 mptp? -60.53 -24.16 65.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.522 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -91.18 158.27 41.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.636 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.04 -66.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -75.87 42.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.671 ' CE3' HG22 ' A' ' 59' ' ' ILE . 30.2 m95 -144.93 127.98 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.911 ' HB3' HD11 ' A' ' 38' ' ' ILE . 80.5 m-85 -153.56 138.84 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.6 tttt -92.33 120.87 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.993 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.04 170.39 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.6 ptmm? -123.26 157.17 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.5 175.83 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -11.68 60.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 13.8 m -84.45 -10.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.64 59.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.45 150.87 45.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.86 125.46 30.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -166.24 171.62 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.564 1.165 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -95.89 144.75 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.638 ' CD1' HG11 ' A' ' 65' ' ' VAL . 14.7 pt -139.83 138.65 20.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.01 125.93 9.64 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.97 -19.55 44.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -4.5 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.613 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 60.4 m-85 -127.2 -3.85 6.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 60' ' ' ILE . 14.4 p -144.44 147.1 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -117.73 156.89 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.37 116.62 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.249 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 150.04 37.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.897 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 148.48 35.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.7 pt-20 -51.19 117.36 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.693 HH12 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -67.85 95.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 16' ' ' THR . 1.3 p -78.9 145.42 65.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -75.03 -13.29 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -61.46 -12.86 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -30.66 62.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.5 OUTLIER -58.07 -14.99 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.29 132.09 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 43.3 t -93.46 124.16 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.79 117.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.53 55.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.0 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.408 HG21 ' HZ3' ' A' ' 67' ' ' LYS . 72.4 p -84.08 139.18 32.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 135.98 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.544 ' O ' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.26 139.15 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 108.344 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.7 mp -109.11 129.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.09 136.3 36.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -43.1 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 25.3 m-85 -111.39 128.72 56.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -82.55 98.78 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -114.63 119.23 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 179.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.52 145.5 21.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.444 HG21 HD11 ' B' ' 12' ' ' LEU . 9.1 t -117.08 -34.45 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' A' ' 27' ' ' ASP . . . -120.69 148.64 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.64 -30.71 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 59' ' ' ILE . 32.0 mt-30 -81.08 -22.01 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 5.8 m-20 -79.62 149.34 31.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.4 pp -126.84 124.75 24.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.04 29.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 17.2 p90 -134.67 166.33 23.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.4 m -112.2 127.51 55.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.71 145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.1 -25.37 25.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 38.1 m-20 -75.58 134.86 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.97 136.29 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.13 175.2 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.48 131.37 56.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' HB2' ' A' ' 50' ' ' ALA . 33.2 mm -68.01 137.85 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.656 HG21 ' CD ' ' A' ' 51' ' ' LYS . 35.7 t -105.86 -33.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.81 162.5 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 48' ' ' TYR . 20.2 t -102.66 162.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 48' ' ' TYR . 24.1 p -106.26 172.5 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.7 OUTLIER -63.89 -35.42 80.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.07 146.98 32.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.07 163.09 35.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 12.7 t30 66.54 3.8 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.8 m95 -122.46 116.61 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.727 ' CD1' HG22 ' A' ' 41' ' ' VAL . 20.0 m-85 -147.58 143.67 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 30.8 ttpt -93.24 120.61 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.847 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -133.42 169.58 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.656 ' CD ' HG21 ' A' ' 39' ' ' VAL . 11.3 mtpp -120.66 154.37 35.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' CB ' HG22 ' A' ' 54' ' ' VAL . 7.7 m-20 -92.91 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -11.48 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 52' ' ' ASN . 29.8 m -84.19 -10.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.06 21.15 31.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.525 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.95 153.88 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.01 128.08 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.746 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -174.79 167.79 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -94.84 149.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 28' ' ' LEU . 39.1 pt -145.54 134.68 11.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.594 ' HA ' ' O ' ' A' ' 46' ' ' ASN . 18.3 Cg_endo -75.03 121.62 6.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.793 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -54.27 -14.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -58.89 -15.46 12.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 57.4 m-85 -128.3 0.35 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG13 ' HA ' ' A' ' 62' ' ' ALA . 3.2 p -143.46 146.18 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.9 156.24 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HZ3' HG21 ' A' ' 12' ' ' THR . 11.5 ttpp -107.55 119.52 39.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.071 -0.396 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 149.82 37.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.898 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.31 175.46 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.16 152.0 39.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' B' ' 16' ' ' THR . 0.8 OUTLIER -54.13 135.46 43.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 82.88 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.463 HG22 ' HG3' ' B' ' 14' ' ' GLU . 11.9 p -67.01 141.42 96.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.466 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 6.2 mm-40 -61.38 -13.08 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -56.51 -30.69 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.515 ' HB3' HD12 ' B' ' 21' ' ' ILE . 1.3 t80 -57.75 -15.25 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -113.42 132.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 89.9 t -101.99 117.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.0 m -66.68 117.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.67 55.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' ILE . 3.3 p -89.26 133.04 34.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.356 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -122.44 124.59 43.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.989 ' SG ' HD11 ' A' ' 38' ' ' ILE . 55.7 m -96.56 147.91 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.872 HD11 ' HB3' ' A' ' 68' ' ' ARG . 1.5 mp -109.65 131.58 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.0 124.02 26.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -95.94 -43.19 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 14.2 m-85 -110.21 161.37 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -96.55 84.61 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 3.5 t80 -78.11 131.73 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -90.52 26.0 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 58.9 149.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 HD11 ' B' ' 12' ' ' LEU . 5.1 t -121.75 -34.88 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.34 144.07 48.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.078 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.9 -17.19 35.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -85.22 -20.61 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.2 165.19 23.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 12.6 mt -115.71 106.46 50.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -140.57 179.07 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -122.81 144.07 49.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.84 137.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.72 -18.05 55.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -74.71 137.94 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.05 138.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.3 mp -129.67 150.38 51.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -106.41 130.26 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.989 HD11 ' SG ' ' A' ' 14' ' ' CYS . 4.9 mp -69.63 134.26 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG21 ' HG3' ' A' ' 51' ' ' LYS . 2.8 t -123.22 -36.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -157.02 157.28 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 42' ' ' THR . 99.2 t -107.92 168.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.565 ' N ' HG12 ' A' ' 41' ' ' VAL . 14.5 p -115.25 169.4 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' CB ' ' HB2' ' B' ' 18' ' ' GLU . 7.7 tptp -45.33 -35.9 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.36 154.55 42.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.668 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.97 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 12.1 m120 -33.37 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.796 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.56 121.09 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 63.4 m-85 -138.62 145.47 40.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 1.173 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 2.1 ttmm -99.51 122.99 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.44 170.37 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 57' ' ' GLU . 26.6 mtmt -117.57 158.13 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 28' ' ' LEU . 3.0 m-20 -98.15 169.54 9.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -11.28 60.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 52' ' ' ASN . 28.3 m -84.1 -12.87 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.95 34.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.5 mmt180 -82.24 152.04 26.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 1.4 pt-20 -136.41 129.32 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.187 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -172.92 -163.76 27.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -108.22 151.39 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.846 HD12 HG11 ' A' ' 65' ' ' VAL . 21.2 pt -143.33 129.46 10.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 122.27 7.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.557 1.819 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.82 -20.36 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.36 -7.16 17.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 28.9 m-85 -125.28 -5.65 7.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 60' ' ' ILE . 7.6 p -144.66 149.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -115.33 160.07 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -93.97 114.95 27.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.94 150.69 38.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.898 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.59 175.85 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 155.11 42.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.706 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.1 pt-20 -52.53 137.83 29.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.898 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -88.33 86.6 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.567 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.2 p -81.32 144.04 53.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HB2' ' CB ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -62.08 -13.03 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p -58.51 -31.58 68.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -55.8 -16.87 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.7 mp -112.09 131.61 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.409 HG11 ' HB1' ' A' ' 40' ' ' ALA . 54.0 t -103.51 125.27 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.416 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.4 m -66.65 117.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.8 pt-20 -78.65 55.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -85.5 139.39 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -106.71 131.01 54.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 60' ' ' ILE . 17.4 p -115.58 151.67 34.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -117.05 135.6 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' LYS . . . -79.18 125.24 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.4 -43.6 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 51.5 m-85 -97.32 130.53 44.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -75.48 109.28 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -108.89 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -91.04 29.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 135.39 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.601 ' HB ' ' CE1' ' A' ' 20' ' ' PHE . 8.0 t -114.42 -29.64 6.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.441 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.63 151.73 49.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.85 -28.23 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 59' ' ' ILE . 10.4 mt-30 -81.88 -19.51 40.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.63 158.31 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 HD21 ' A' ' 36' ' ' LEU . 2.3 pp -126.7 112.56 22.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.4 30.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.5 -171.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LYS . 51.5 m -122.07 129.06 52.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' CYS . 12.2 pttt -39.14 130.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.32 -18.2 30.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -75.63 145.84 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.93 137.83 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 28' ' ' LEU . 3.9 mp -130.81 142.01 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 127.03 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.33 136.96 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 78.5 t -113.79 -33.88 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.51 161.54 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 48' ' ' TYR . 48.9 t -103.1 152.77 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' HA ' ' A' ' 48' ' ' TYR . 18.2 p -98.23 173.81 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -14.36 62.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.61 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.7 m-20 -91.9 166.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.97 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -75.05 49.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.4 m95 -142.53 121.94 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.058 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.766 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.0 m-85 -151.33 139.3 20.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.6 tttm -90.63 121.64 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.88 170.68 13.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.383 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -120.73 157.58 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.49 ' HB2' HG22 ' A' ' 54' ' ' VAL . 14.8 m120 -91.98 172.57 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -12.21 61.33 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.461 1.101 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 52' ' ' ASN . 26.3 m -85.78 -13.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.75 13.83 36.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -76.27 150.54 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.12 121.42 34.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.716 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.13 169.89 39.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.9 mp -95.88 151.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 65' ' ' VAL . 10.7 pt -143.85 131.99 10.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 122.44 7.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.19 -21.4 59.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -71.24 -1.03 11.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 10.7 m-85 -126.42 -1.73 6.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -144.18 162.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.24 133.84 55.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.33 111.9 20.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -74.96 150.16 37.94 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.869 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.15 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.604 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 149.48 36.74 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.458 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -57.55 125.14 21.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 85.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.61 HG23 ' OD2' ' A' ' 44' ' ' ASP . 14.3 p -66.37 147.34 98.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.94 -16.53 20.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.28 -12.32 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -56.39 -30.91 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.633 ' HB3' HD12 ' B' ' 21' ' ' ILE . 18.8 t80 -57.89 -15.73 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -115.48 131.04 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.505 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 20.5 t -90.78 122.19 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -65.19 123.71 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.8 pt-20 -78.27 54.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.8 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 p -92.43 139.77 30.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -116.1 132.06 56.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.592 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.4 m -105.45 149.79 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.9 mp -110.91 131.97 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.73 136.58 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -43.6 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 17.1 m-85 -112.05 128.54 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -74.6 100.49 3.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 39.3 t80 -102.7 176.97 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.426 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -114.17 -80.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.639 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.52 161.15 10.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.725 HG21 HD11 ' B' ' 12' ' ' LEU . 4.0 p -114.62 -38.13 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.5 158.01 16.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -68.13 -10.16 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.973 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -97.04 -14.28 21.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 5.0 m-20 -76.03 130.17 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -120.38 119.39 30.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' HIS . 18.3 Cg_endo -74.99 155.21 42.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.683 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -122.41 -179.73 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.52 131.64 56.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.277 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 133.19 9.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.77 -15.38 63.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -75.76 151.34 37.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.58 138.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 60' ' ' ILE . 3.9 mp -129.55 150.35 50.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.674 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -107.37 135.74 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.643 HD13 ' HE2' ' A' ' 67' ' ' LYS . 2.1 tp -68.99 135.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.6 t -113.26 -34.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.96 161.14 2.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.67 160.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.461 HG23 ' HA ' ' A' ' 48' ' ' TYR . 22.3 p -112.97 171.45 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -76.13 -4.46 41.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' ' OG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER -100.05 157.64 33.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 158.46 42.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.778 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER 33.5 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.9 m95 -129.8 116.95 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.05 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 46' ' ' ASN . 1.4 m-85 -149.2 148.22 29.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.1 ttpt -93.27 122.28 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.85 170.16 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.94 157.39 34.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -95.95 174.28 7.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -10.97 60.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.33 -13.29 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 4.79 56.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.29 148.0 49.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -126.89 130.65 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.767 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -178.11 173.68 46.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.973 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.03 147.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 HG11 ' A' ' 65' ' ' VAL . 32.9 pt -136.63 131.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -56.63 -17.11 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -11.06 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.4 m-85 -127.06 -1.27 6.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 15' ' ' ILE . 2.7 p -142.93 145.26 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.66 154.67 23.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.35 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -96.92 115.48 27.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.819 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 150.56 38.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.872 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.25 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 153.72 41.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 8.1 pm0 -53.37 144.36 16.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 70.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.526 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 80.7 p -66.06 147.32 98.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -11.8 21.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 2.7 mp0 -62.93 -11.79 20.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -59.34 -29.68 67.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.462 ' C ' HD12 ' B' ' 21' ' ' ILE . 28.4 t80 -57.66 -14.64 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.564 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -113.63 130.79 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.49 125.55 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.415 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.2 m -66.84 116.84 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.6 pt-20 -78.65 56.19 1.8 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 24' ' ' GLU . 19.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -103.37 139.66 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.45 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 1.4 mm-40 -104.37 130.96 52.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.634 ' HB3' HG22 ' A' ' 65' ' ' VAL . 7.4 m -107.6 148.52 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.806 HD13 HG23 ' A' ' 35' ' ' VAL . 40.2 mm -110.57 132.06 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.17 125.71 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -44.75 3.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 54.1 m-85 -104.05 132.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.7 p-10 -78.29 95.92 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 4.5 t80 -86.28 136.78 33.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -53.66 6.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.654 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.99 137.78 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -120.27 -31.36 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.8 143.53 50.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -19.97 49.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.739 ' O ' HD12 ' A' ' 59' ' ' ILE . 31.5 mt-30 -82.97 -21.83 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.02 146.88 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.907 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.9 pp -117.42 113.45 38.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.54 33.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.837 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.4 p90 -139.24 -176.26 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -122.71 133.6 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -39.39 135.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.43 -15.3 58.92 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.47 144.86 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.806 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.98 135.91 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.0 mm? -125.67 160.13 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.65 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -115.19 128.46 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.1 mm -66.71 131.62 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 77.3 t -114.24 -34.8 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.589 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -166.92 161.19 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 48' ' ' TYR . 15.5 t -103.69 149.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 11.6 p -97.3 172.84 7.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -24.59 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -91.5 153.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.06 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.506 1.793 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' B' ' 13' ' ' PRO . 87.3 m-20 -80.82 41.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CE3' HG22 ' A' ' 59' ' ' ILE . 26.5 m95 -146.95 127.04 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 91.2 m-85 -150.23 137.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.4 ttpt -95.04 120.91 36.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.392 1.057 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -132.22 170.09 15.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -119.93 150.9 39.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 36' ' ' LEU . 3.7 m-20 -86.04 174.4 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -71.88 -11.12 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 56' ' ' ARG . 16.8 m -84.15 -11.43 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.5 10.93 55.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -79.06 151.82 31.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -127.43 127.01 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.907 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.69 170.92 39.99 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.786 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -99.67 148.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.599 HD12 HG11 ' A' ' 65' ' ' VAL . 6.6 pt -143.43 141.22 18.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.06 131.09 13.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.552 1.817 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.83 -28.47 68.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -3.08 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 7.9 m-85 -120.53 -12.03 8.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 14' ' ' CYS . 2.5 p -145.11 145.37 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -109.06 154.78 21.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.5 117.08 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.06 150.54 38.07 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.848 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.34 175.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' CB ' ' A' ' 46' ' ' ASN . 18.2 Cg_endo -75.05 148.68 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' B' ' 16' ' ' THR . 4.2 pt-20 -54.76 120.62 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.58 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -77.27 90.38 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.563 HG22 ' HG3' ' B' ' 14' ' ' GLU . 30.7 p -79.11 147.86 70.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.95 -18.84 18.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -12.36 21.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.509 ' CB ' HH21 ' B' ' 15' ' ' ARG . 89.6 p -56.09 -31.29 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.405 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -56.5 -16.45 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.479 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.8 mp -112.48 131.9 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.589 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.9 t -101.19 125.94 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.438 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.7 m -68.72 118.29 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.61 55.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.5 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 38' ' ' ILE . 25.0 p -102.63 140.8 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.09 121.69 43.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.593 ' HB3' HG22 ' A' ' 65' ' ' VAL . 2.3 m -96.93 142.56 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.67 HD11 ' HB2' ' A' ' 68' ' ' ARG . 1.1 mp -118.73 132.15 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.99 125.18 29.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -51.39 10.34 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 8.3 p90 -143.8 -172.61 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 13.5 t-20 -73.42 150.0 42.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.625 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -124.41 -51.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 111.061 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 19.0 t60 90.8 111.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.65 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' HIS . . . -36.79 131.66 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 HD11 ' B' ' 12' ' ' LEU . 13.1 t -111.93 -25.68 9.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.492 0.76 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.03 147.38 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.67 -18.37 30.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.648 ' O ' HD12 ' A' ' 59' ' ' ILE . 38.9 mt-30 -88.53 -20.51 24.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 1.6 t70 -78.8 156.37 28.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' HA3' ' A' ' 58' ' ' GLY . 61.2 mt -119.68 100.49 49.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.54 20.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -138.4 -174.34 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.82 152.74 39.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -47.32 141.43 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -19.55 53.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.419 1.075 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -71.61 135.28 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.65 139.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.6 mp -130.05 162.78 27.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -109.08 133.59 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -66.27 137.21 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 62.0 t -117.82 -35.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -175.45 159.61 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 42' ' ' THR . 63.3 t -97.21 164.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 41' ' ' VAL . 25.0 p -116.78 173.67 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.24 67.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -91.54 154.74 44.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.627 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.98 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 41.8 m-20 -79.1 40.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.684 ' HE3' HG22 ' A' ' 59' ' ' ILE . 24.2 m95 -142.94 127.11 17.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 89.2 m-85 -153.01 140.62 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -93.76 122.48 36.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -134.1 168.39 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -118.86 155.9 30.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.216 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' A' ' 54' ' ' VAL . 8.9 m120 -96.39 176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -9.96 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.1 p -83.46 -14.38 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 -2.57 56.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -69.47 150.36 47.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 0.715 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.65 132.05 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -164.77 -161.15 13.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -111.4 150.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.894 HD12 HG11 ' A' ' 65' ' ' VAL . 7.0 pt -145.95 132.65 9.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.603 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.6 Cg_endo -74.98 120.83 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.79 -15.46 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -9.48 30.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 92.0 m-85 -126.3 -2.47 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.83 145.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -111.55 154.77 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 113.37 25.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.621 1.201 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.1 Cg_endo -75.03 150.09 37.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.904 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -50.31 115.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -66.85 91.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.414 1.071 . . . . 0.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.44 HG23 ' H ' ' B' ' 16' ' ' THR . 1.6 p -73.29 146.15 86.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.96 20.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -15.92 58.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.478 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.9 p -56.76 -29.55 62.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.522 ' HB3' HD12 ' B' ' 21' ' ' ILE . 39.1 t80 -58.43 -14.83 8.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.13 131.73 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.532 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 21.6 t -89.59 118.73 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -65.93 115.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.4 pt-20 -78.66 54.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -67.21 134.64 52.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.2 tt0 -105.23 123.47 47.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HD11 ' A' ' 38' ' ' ILE . 19.0 m -96.24 137.36 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.347 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 HG23 ' A' ' 35' ' ' VAL . 19.0 mm -107.15 129.36 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -80.52 120.33 24.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' CD2' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -72.45 -49.45 33.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -151.26 -169.78 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -81.74 121.89 26.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.824 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.5 t80 -99.09 110.18 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.61 -44.99 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.04 152.39 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -119.7 -36.08 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.409 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.91 148.15 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.4 -13.72 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -87.8 -16.99 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -61.54 -169.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -134.33 100.65 12.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 133.47 16.53 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.638 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 10.6 p90 -139.33 178.75 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 57.3 m -119.15 142.54 47.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 18' ' ' TYR . 1.1 pttt -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.41 -5.9 84.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 17.1 t0 -74.96 147.77 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.682 HG22 ' HG2' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -112.8 137.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -131.4 155.03 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.504 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -114.91 132.91 56.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.048 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.3 mm -81.72 128.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.933 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.7 t -104.74 -34.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.38 131.58 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 48' ' ' TYR . 29.6 t -92.36 149.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 48' ' ' TYR . 30.1 p -87.52 174.97 8.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -28.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -100.97 152.51 37.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.695 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -75.01 -63.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.818 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 26.9 m-80 -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE3' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -105.55 114.84 29.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.849 ' OH ' ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -152.84 152.69 31.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.21 122.9 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.048 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -125.07 169.53 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.933 ' HD3' HG21 ' A' ' 39' ' ' VAL . 16.2 mtpt -125.51 155.96 39.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -100.75 176.29 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -12.72 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 15.5 m -85.4 -8.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.77 63.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.419 1.074 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -70.42 148.38 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' CG ' ' HG2' ' A' ' 51' ' ' LYS . 1.1 mt-10 -127.87 129.58 47.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 28' ' ' LEU . . . -174.98 171.03 44.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -96.7 146.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 36' ' ' LEU . 49.1 pt -135.2 128.43 18.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.538 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.97 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -60.35 -18.96 53.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -10.11 32.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.9 m-85 -126.53 -3.55 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -144.86 155.58 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.82 131.78 49.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 109.07 6.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 14.1 ptt180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.97 150.5 38.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.834 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 152.31 40.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.9 pt-20 -51.67 126.23 17.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.07 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 88.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.507 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.0 p -73.15 140.51 80.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.483 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.04 -23.68 13.49 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.418 1.746 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.16 -12.31 19.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.48 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -57.0 -31.23 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' B' ' 21' ' ' ILE . 28.3 t80 -55.54 -15.85 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -115.13 129.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.98 139.2 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -67.81 128.4 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.37 56.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.732 ' OG1' HD13 ' A' ' 38' ' ' ILE . 3.0 p -105.01 140.6 37.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 0.718 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.87 112.1 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -97.46 133.58 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.805 HD13 HG23 ' A' ' 35' ' ' VAL . 10.1 mm -107.24 130.88 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.55 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -77.54 128.37 34.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -42.32 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 45.3 m-85 -102.02 170.47 8.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -112.06 74.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 2.6 t80 -80.83 126.97 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -91.04 34.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' CA ' ' OD1' ' A' ' 27' ' ' ASP . . . 58.57 150.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.53 HG21 ' CD1' ' B' ' 12' ' ' LEU . 7.0 t -124.45 -34.0 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.05 149.71 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.3 -36.5 71.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.349 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.822 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm-40 -72.61 -21.41 61.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CA ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -79.95 151.24 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.838 HD23 ' CA ' ' A' ' 58' ' ' GLY . 2.3 pp -122.93 121.89 27.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 146.65 32.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.1 p90 -139.17 154.25 48.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.6 m -94.83 122.29 37.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.85 146.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.082 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 -24.71 28.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 31' ' ' CYS . 3.6 p-10 -75.19 155.72 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.78 139.29 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 60' ' ' ILE . 2.1 mt -128.2 139.04 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.8 m -101.82 134.49 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.732 HD13 ' OG1' ' A' ' 12' ' ' THR . 1.1 mp -65.87 133.74 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.8 t -106.7 -32.34 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.1 150.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 42' ' ' THR . 76.8 t -100.87 159.81 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' ASP . 2.8 p -123.01 173.72 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.55 5.5 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.619 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.61 161.33 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.578 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.99 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.856 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 75.0 m-20 -87.0 41.95 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.771 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.4 m95 -130.95 115.88 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.7 m-85 -143.95 151.09 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.4 tttt -95.85 121.65 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.17 169.58 15.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 48.9 pttt -119.42 157.19 28.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.537 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.49 179.45 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.07 -10.66 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG2' ' HE2' ' A' ' 53' ' ' LYS . 46.8 t -83.67 -11.83 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.26 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -71.13 149.06 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.231 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' A' ' 51' ' ' LYS . 11.1 mp0 -119.55 128.24 53.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.838 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -166.23 170.55 40.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mp -96.56 146.45 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 36' ' ' LEU . 38.2 pt -137.7 136.11 19.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.08 122.72 7.35 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -57.56 -18.21 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.95 -8.43 22.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.689 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 19.5 m-85 -127.1 -1.59 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.2 p -143.87 146.63 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -113.93 157.23 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.42 114.62 28.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -75.01 150.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.86 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.28 176.21 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.67 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.5 pt-20 -58.55 150.56 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 91.79 7.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.448 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p -78.24 138.02 60.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -21.24 16.21 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.38 -11.89 18.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 82.1 p -57.06 -27.9 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.537 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -61.43 -15.59 38.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.95 131.52 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 42.8 t -105.08 119.75 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -66.74 139.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 22.0 mt-10 -86.53 54.32 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.1 p -78.93 139.13 38.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.68 128.94 50.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.581 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.03 137.79 34.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.913 HD13 HG23 ' A' ' 35' ' ' VAL . 3.5 mm -109.44 133.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -80.09 122.86 27.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -105.56 -43.25 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 29.8 m-85 -114.15 161.46 17.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.45 104.27 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.75 125.68 45.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -76.68 145.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.0 147.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.613 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -114.68 -29.86 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.25 153.24 50.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.77 -33.55 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.911 ' HG2' HD11 ' A' ' 59' ' ' ILE . 1.9 tp60 -81.16 -15.8 54.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.072 . . . . 0.0 110.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -80.37 176.94 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 60' ' ' ILE . 85.5 mt -134.23 138.97 31.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.078 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 137.61 22.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 1.181 ' CE1' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -117.21 139.23 51.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.0 t -125.89 114.3 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.382 1.051 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -32.14 130.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 -19.58 54.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.06 140.4 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.913 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.95 139.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.181 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.1 mp -129.63 165.85 20.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.731 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.0 m -112.76 134.17 54.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 38' ' ' ILE . 20.0 mm -70.12 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.496 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 94.8 t -115.84 -35.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.3 161.27 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.592 ' H ' HG13 ' B' ' 22' ' ' VAL . 45.4 t -96.21 170.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 48' ' ' TYR . 25.4 p -121.51 172.48 8.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -66.27 -21.71 66.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.519 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 5.9 m-20 -92.13 160.66 35.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.592 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.94 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 24.4 m-20 -79.35 47.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.73 ' CE3' HG22 ' A' ' 59' ' ' ILE . 18.9 m95 -145.64 125.29 13.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 107.975 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.65 ' HA ' HG23 ' A' ' 42' ' ' THR . 73.9 m-85 -152.58 143.5 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -93.61 121.98 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -138.15 171.0 15.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.39 1.056 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.8 pttt -119.56 157.98 27.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 36' ' ' LEU . 11.4 m120 -99.02 177.43 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -72.35 -12.24 61.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 56' ' ' ARG . 2.3 m -83.43 -8.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 3.3 62.73 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.69 148.96 48.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' C ' HD11 ' A' ' 28' ' ' LEU . 6.8 pt-20 -137.3 130.76 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 28' ' ' LEU . . . -177.34 -167.25 35.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.911 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -103.48 149.9 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.936 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -143.12 142.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.798 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.4 Cg_endo -74.92 116.88 4.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.678 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -64.24 -11.43 31.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.56 -10.77 13.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 26.4 m-85 -126.95 -0.97 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 60' ' ' ILE . 2.3 p -143.69 145.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 150.97 46.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 109.27 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 110.323 -179.986 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.88 150.56 38.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.833 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.71 174.34 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 150.92 39.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -56.01 116.86 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.123 . . . . 0.0 110.392 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.559 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -65.44 87.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.431 HG23 ' H ' ' B' ' 16' ' ' THR . 4.4 p -66.66 148.9 98.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.31 20.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 14.5 mt-10 -61.65 -13.61 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -56.93 -31.32 64.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.471 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.0 OUTLIER -56.93 -16.09 6.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.573 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.7 mp -114.62 130.54 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.592 HG13 ' H ' ' A' ' 41' ' ' VAL . 3.6 t -89.83 134.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.404 HG12 ' HE3' ' A' ' 43' ' ' LYS . 2.5 m -67.02 117.72 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.56 55.33 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 73.6 p -84.71 137.98 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 0.826 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -108.91 126.66 53.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.11 145.1 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -112.4 132.06 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.26 127.67 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -45.19 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 33.6 m-85 -101.91 134.72 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.498 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -74.16 79.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 5.0 t80 -78.07 97.04 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -47.33 -48.48 25.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.38 151.33 5.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -116.4 -34.94 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -151.47 151.95 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -63.04 -11.58 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -83.16 -21.3 33.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -78.24 -167.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB2' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.23 99.08 14.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -140.29 -176.03 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -122.72 134.55 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 108.348 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -42.39 134.13 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.6 58.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -75.31 143.99 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.67 137.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.051 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.67 159.84 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.515 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m -108.55 134.38 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.51 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 1.9 tp -66.63 136.89 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 19.7 t -109.94 -36.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -176.98 159.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.901 HG13 ' CD1' ' A' ' 48' ' ' TYR . 14.5 t -102.78 149.05 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 48' ' ' TYR . 11.3 p -95.63 172.37 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -62.97 -33.89 76.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.698 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -91.82 148.11 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.577 ' C ' ' H ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 163.61 35.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 5.1 t30 70.41 -39.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.861 ' CE3' HG22 ' A' ' 59' ' ' ILE . 2.0 m95 -80.27 121.57 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.901 ' CD1' HG13 ' A' ' 41' ' ' VAL . 20.7 m-85 -148.81 144.47 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 39.9 tttt -92.62 121.32 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -136.76 169.72 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 5.1 ptmt -119.52 157.33 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -97.83 178.18 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -11.4 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 3.6 m -84.59 -13.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.09 3.12 60.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 2.0 tpt180 -70.32 150.66 46.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.34 127.38 47.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -170.01 171.95 43.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.861 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.4 mp -95.99 147.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.114 HD12 HG11 ' A' ' 65' ' ' VAL . 1.7 pt -141.93 129.96 11.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.554 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -56.2 -17.75 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 66.7 t30 -63.37 -11.29 21.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 73.5 m-85 -125.14 -4.73 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.114 HG11 HD12 ' A' ' 60' ' ' ILE . 1.5 p -145.04 146.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.15 152.64 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.57 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.8 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.844 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.06 175.47 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 156.46 43.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.57 1.826 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' THR . 0.1 OUTLIER -56.51 120.08 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.512 ' H ' ' NE ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -65.63 78.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.698 HG21 ' OD1' ' A' ' 44' ' ' ASP . 20.4 p -65.3 136.49 96.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.86 -21.66 15.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 2.0 pm0 -60.4 -11.61 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -31.8 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' B' ' 21' ' ' ILE . 3.9 t80 -56.84 -15.78 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.0 131.87 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -99.22 133.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.89 117.16 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.67 55.52 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.903 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.505 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 70.1 p -78.36 137.71 38.16 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 0.731 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -112.01 125.23 53.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HB2' HG22 ' A' ' 65' ' ' VAL . 31.0 p -103.33 153.61 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.3 mp -118.6 131.77 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.88 138.93 37.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -128.74 -44.37 1.34 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' LYS . 2.6 m-85 -114.86 151.11 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -97.32 109.8 22.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -95.55 -48.51 5.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.8 t-80 86.86 98.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.568 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . -33.36 143.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.466 HG21 ' HD3' ' B' ' 15' ' ' ARG . 5.5 t -118.02 -33.25 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.371 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB3' ' CG ' ' A' ' 27' ' ' ASP . . . -85.71 154.59 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.82 -28.28 67.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.244 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.915 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.64 -13.65 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.646 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 65.5 m-20 -73.29 136.6 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.59 129.05 25.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 150.33 37.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.845 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 3.3 p90 -139.93 162.48 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 143.71 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 147.57 4.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.53 -23.29 19.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.43 141.21 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.56 138.85 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' OD1' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -129.47 153.06 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 m -107.84 135.79 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.677 HD13 ' HE2' ' A' ' 67' ' ' LYS . 7.3 tp -66.43 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 51' ' ' LYS . 97.7 t -113.54 -31.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.796 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.56 154.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.59 155.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -107.91 169.58 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -44.55 -40.22 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 152.97 42.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.659 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.95 -79.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' PRO . 42.8 m-20 -32.98 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.6 m95 -82.43 116.25 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.969 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 64.8 m-85 -133.58 145.35 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -102.03 122.09 43.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.52 169.83 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.64 157.6 30.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.486 ' HB2' HG12 ' A' ' 54' ' ' VAL . 4.4 m120 -95.68 177.31 5.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.88 60.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -84.12 -14.16 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.6 1.57 58.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.09 140.54 52.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -116.99 122.21 43.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -161.01 169.09 36.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.915 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.91 150.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 65' ' ' VAL . 30.7 pt -145.71 131.54 9.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -75.07 120.93 6.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.33 -12.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -13.73 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.375 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 39.8 m-85 -127.48 -0.77 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.4 p -143.29 145.29 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.89 153.69 22.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -104.81 113.84 27.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.981 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.048 -0.405 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 150.47 38.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.829 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 156.62 43.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.62 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -49.01 132.95 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.798 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.62 84.66 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.556 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -78.76 139.62 58.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.1 Cg_endo -75.06 -21.08 16.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -11.93 30.69 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.418 1.074 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -62.23 -30.04 70.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.46 ' C ' HD12 ' B' ' 21' ' ' ILE . 4.5 m-85 -57.67 -14.95 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.574 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.8 mp -115.18 130.88 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.796 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.8 t -99.52 124.15 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.449 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.6 m -66.7 128.18 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.9 pt-20 -78.47 56.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.24 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 24' ' ' GLU . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -105.53 139.33 40.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.55 120.8 38.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' HG22 ' A' ' 65' ' ' VAL . 25.6 m -99.08 137.27 37.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.972 HD13 HG23 ' A' ' 35' ' ' VAL . 10.7 mm -106.73 130.83 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.32 134.97 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -41.42 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 89.3 m-85 -103.52 174.87 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -112.0 95.8 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' PRO . 19.8 t80 -92.63 109.08 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.01 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.72 151.61 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.479 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -121.37 -35.09 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.93 147.91 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -18.11 39.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -74.28 -23.63 59.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -176.73 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 58' ' ' GLY . 2.8 pp -134.3 128.17 19.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.35 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -142.37 164.34 30.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 50.5 m -123.03 151.58 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -50.38 147.82 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.13 -22.51 31.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.1 m-20 -73.33 140.68 46.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.972 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.65 137.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 3.6 mp -130.77 156.08 45.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.708 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 m -109.05 133.1 53.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.9 mm -66.6 130.57 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.4 t -110.03 -35.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -174.59 160.33 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.53 HG22 ' HD1' ' A' ' 48' ' ' TYR . 53.5 t -105.42 161.6 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 41' ' ' VAL . 18.0 p -116.07 172.06 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -10.48 59.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -93.55 154.78 41.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.03 161.62 38.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER 33.65 37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.7 m95 -131.06 117.09 18.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.53 ' HD1' HG22 ' A' ' 41' ' ' VAL . 17.1 m-85 -149.56 143.01 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 24.2 tttt -92.25 122.72 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.26 170.32 15.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.04 157.09 33.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -96.41 175.12 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -10.59 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.95 -13.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.66 3.21 57.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.25 143.72 52.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -123.92 122.21 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.512 ' C ' HD23 ' A' ' 28' ' ' LEU . . . -166.05 171.67 41.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 59' ' ' ILE . 2.7 mp -96.56 148.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.741 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.452 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -145.15 136.5 12.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.06 123.75 8.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.514 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -62.44 -11.95 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -9.27 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 21.1 m-85 -125.91 -7.01 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG23 ' C ' ' A' ' 15' ' ' ILE . 12.1 p -137.76 146.18 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.18 159.66 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -100.44 114.84 28.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.2 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.66 36.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.88 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.93 175.58 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.652 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 151.21 39.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.846 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.9 pm0 -54.14 147.1 13.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.215 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.849 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.3 OUTLIER -98.15 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.492 HG22 ' HG3' ' B' ' 14' ' ' GLU . 3.4 p -68.5 147.08 98.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.83 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.72 -12.57 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.416 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 2.0 t -56.51 -32.07 64.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.52 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.4 m-85 -56.31 -15.81 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.611 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -115.21 130.94 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.44 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 93.1 t -98.44 126.13 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.434 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.6 m -67.12 117.73 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.68 55.23 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.02 -85.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.646 HG22 ' CG ' ' A' ' 69' ' ' GLU . 11.6 p -95.36 139.68 31.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -115.76 135.85 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.234 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 60' ' ' ILE . 3.5 p -120.06 151.34 39.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.782 HG13 HG23 ' A' ' 35' ' ' VAL . 4.4 mp -120.72 134.63 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.93 129.51 34.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -87.76 -42.21 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -114.45 177.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -106.35 72.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 65.1 t80 -80.35 122.18 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -172.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.6 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.59 134.82 13.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -116.74 -28.55 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.52 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.23 -25.57 61.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.81 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.75 -22.16 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.41 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.8 pp -127.76 130.2 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 156.42 42.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 20' ' ' PHE . 2.5 p90 -139.47 173.42 11.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' LYS . 53.9 m -123.22 126.32 46.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -36.09 124.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.34 -11.68 51.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.87 144.57 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.53 137.81 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 60' ' ' ILE . 1.3 mp -130.5 143.55 50.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.546 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -103.17 131.63 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.8 mp -69.07 130.97 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.824 HG21 ' HD3' ' A' ' 51' ' ' LYS . 44.1 t -113.9 -33.19 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.13 160.96 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' ' 48' ' ' TYR . 28.0 t -104.33 147.76 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.409 HG21 HG21 ' A' ' 59' ' ' ILE . 13.2 p -95.07 171.01 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.1 tptt -45.94 -37.0 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.596 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.2 OUTLIER -93.72 156.49 39.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.655 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 -82.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 45' ' ' PRO . 15.7 m120 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.801 ' CE3' HG22 ' A' ' 59' ' ' ILE . 8.6 m95 -81.74 119.43 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 85.1 m-85 -137.51 146.45 44.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.063 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.9 tttp -98.41 121.91 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.27 169.87 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.824 ' HD3' HG21 ' A' ' 39' ' ' VAL . 13.9 mtpp -116.49 157.72 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -94.19 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -13.24 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m -85.77 -6.76 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.98 11.84 58.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -78.52 151.55 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -125.85 126.46 44.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -168.83 166.22 39.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 26' ' ' GLN . 2.0 mp -94.93 147.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 65' ' ' VAL . 5.9 pt -141.01 142.64 28.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.5 Cg_endo -74.98 124.87 8.95 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -65.57 -25.36 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -71.68 -2.54 17.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -118.1 -2.35 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -144.0 175.08 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -125.05 135.69 52.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.535 ' NZ ' ' CD2' ' A' ' 48' ' ' TYR . 1.5 ttmt -95.53 110.54 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -25.8 67.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.646 ' CG ' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' B' ' 9' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.434 ' HD2' HG22 ' B' ' 8' ' ' ILE . 18.2 Cg_endo -75.02 174.2 13.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 149.97 37.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.837 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.99 175.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 155.72 43.07 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.68 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -50.8 135.42 23.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.808 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.33 94.06 8.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.596 HG21 ' OD1' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -87.13 141.68 33.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.13 20.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 4.1 mm-40 -61.88 -13.06 21.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -57.09 -28.14 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.44 -12.94 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.66 132.15 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 48.8 t -104.14 124.52 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.87 129.06 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 14.9 pt-20 -78.46 56.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.1 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.571 ' HA ' HG22 ' A' ' 37' ' ' THR . 54.1 p . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.43 -72.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.445 ' OG1' ' CG1' ' A' ' 38' ' ' ILE . 5.3 p -78.98 139.32 38.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 35' ' ' VAL . 12.4 tt0 -104.19 120.55 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 38' ' ' ILE . 14.1 m -97.71 142.77 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 108.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.938 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -114.1 133.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.4 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -118.88 -39.37 2.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.452 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 31.4 m-85 -104.57 174.68 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -125.11 63.96 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.711 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -86.25 134.33 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.565 ' O ' ' CZ ' ' A' ' 20' ' ' PHE . 9.9 m-70 -72.48 -173.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.2 141.02 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.67 HG21 HD11 ' B' ' 12' ' ' LEU . 12.2 t -117.14 -32.69 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.23 147.79 48.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -16.72 50.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.776 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm100 -94.98 -21.73 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.61 145.73 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.707 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.5 pp -116.04 119.76 36.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.37 30.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 6.9 p90 -139.3 175.56 9.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -122.69 149.58 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.35 138.98 20.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.34 -19.7 52.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.418 1.074 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.3 m-20 -74.21 139.32 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.938 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.21 137.33 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 28' ' ' LEU . 4.6 mp -130.3 157.75 41.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.5 m -113.32 136.44 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.578 HD11 ' SG ' ' A' ' 14' ' ' CYS . 28.6 mm -65.68 131.39 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.203 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.9 t -112.18 -33.72 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -173.53 152.06 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG13 ' HD1' ' A' ' 48' ' ' TYR . 9.8 t -99.64 150.14 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 p -99.05 172.15 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.47 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.43 146.04 31.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.593 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.4 Cg_endo -74.97 156.54 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.43 1.752 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.799 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 9.1 t30 75.09 -33.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.828 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.25 118.16 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 14.5 m-85 -145.31 139.11 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.9 ttpt -93.16 121.73 34.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.493 1.121 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.55 168.82 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.05 157.13 27.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 22.5 p30 -101.65 179.76 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -10.0 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.1 t -83.56 -13.49 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.07 -5.86 68.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -69.92 149.65 47.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.6 126.56 44.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.707 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -157.46 171.29 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.828 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.2 mp -97.42 145.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' LEU . 32.2 pt -146.13 131.23 9.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.06 130.12 12.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.799 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -61.04 -12.85 13.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.39 -14.47 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.711 ' CE2' ' CG ' ' A' ' 20' ' ' PHE . 21.4 m-85 -126.06 -1.62 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.7 p -143.77 145.56 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -110.3 155.92 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 110.48 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -50.61 -24.91 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.26 13.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.16 42.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -74.95 151.38 39.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.69 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.05 174.26 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 157.0 42.92 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.568 1.825 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.559 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.0 OUTLIER -65.93 122.59 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.203 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.84 82.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.559 HG22 ' HG3' ' B' ' 14' ' ' GLU . 15.5 p -66.59 147.38 99.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.462 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -74.95 -16.79 20.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.72 -13.2 20.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -56.74 -32.14 65.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.458 ' C ' HD12 ' B' ' 21' ' ' ILE . 9.3 m-85 -55.59 -16.91 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.577 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.7 mp -114.01 130.87 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 90.4 t -100.62 121.9 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.71 116.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.2 pt-20 -78.62 54.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.47 -36.86 0.59 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 p -67.49 138.23 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 128.81 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.74 ' HB2' HG22 ' A' ' 65' ' ' VAL . 14.6 p -101.53 151.49 21.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.754 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -114.4 133.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.942 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -81.55 132.12 35.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 -42.19 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 18.9 m-85 -108.17 137.96 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -87.96 115.44 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 22.7 t80 -124.66 131.68 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.488 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -68.57 178.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.66 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 141.94 19.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 t -118.63 -31.15 4.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.776 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.5 148.05 52.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.43 -33.24 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.868 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.5 mt-30 -76.89 -22.04 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.7 158.32 25.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.685 ' HG ' HG23 ' A' ' 60' ' ' ILE . 1.9 pp -129.23 145.63 57.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 141.57 26.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.942 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.99 142.38 45.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.8 p -124.07 110.1 14.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -35.71 134.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.95 -26.35 24.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.63 148.49 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.33 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 18.3 mt -124.16 158.47 32.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.69 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -116.56 132.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.18 125.11 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 40.7 t -107.57 -35.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -172.2 159.4 4.82 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 t -103.58 152.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 p -104.62 171.28 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -39.0 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.1 OUTLIER -92.77 151.51 40.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' PRO . 3.8 m120 -33.15 -36.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.643 1.215 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.819 ' CE3' HG22 ' A' ' 59' ' ' ILE . 10.3 m95 -80.57 125.6 30.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 79.7 m-85 -141.86 144.97 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 6.0 tttm -103.29 122.43 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -137.53 169.5 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 43.3 pttt -126.3 148.96 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.789 ' ND2' HD21 ' A' ' 36' ' ' LEU . 1.2 m120 -86.42 176.0 8.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -71.22 -8.96 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG22 ' CE ' ' A' ' 53' ' ' LYS . 19.9 t -82.49 -14.4 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.13 58.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.7 mpt_? -69.42 136.83 52.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 0.728 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.25 123.68 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -160.7 167.82 35.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.7 mp -95.95 143.2 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 65' ' ' VAL . 1.7 pp -141.86 137.63 16.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.01 129.61 12.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -63.04 -11.67 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -62.14 -11.6 15.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.9 m-85 -128.57 -0.29 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.754 HG23 ' C ' ' A' ' 15' ' ' ILE . 9.8 p -144.21 145.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -127.08 142.58 51.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' GLU . 4.3 ttpt -72.19 114.93 10.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -37.86 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.8 tp10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 8' ' ' ILE . 18.3 Cg_endo -74.96 174.32 12.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.28 37.77 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.867 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.52 174.86 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 151.45 39.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.522 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -51.28 123.99 10.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.455 HH21 ' CB ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -73.18 91.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.522 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.5 p -76.44 143.75 73.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.07 -18.4 18.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -62.75 -13.39 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.455 ' CB ' HH21 ' B' ' 15' ' ' ARG . 70.5 m -58.71 -30.3 67.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.36 -15.64 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.418 ' N ' HD12 ' B' ' 21' ' ' ILE . 4.2 mp -114.4 130.98 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 40' ' ' ALA . 86.3 t -109.36 124.41 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.401 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -66.79 117.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.1 pt-20 -78.61 56.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 6.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.51 -75.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -79.43 134.02 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.4 tt0 -108.54 127.45 53.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.94 147.76 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.776 HD13 HG23 ' A' ' 35' ' ' VAL . 14.0 mm -116.27 128.45 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.672 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.68 136.6 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.58 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -116.43 -41.29 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.58 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 68.2 m-85 -110.13 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -116.72 76.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -91.75 120.87 32.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.563 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 31.3 m170 -59.37 175.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.565 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -77.41 146.3 31.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -115.57 -33.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.09 152.92 46.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.41 -36.38 66.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.215 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.805 ' O ' HD12 ' A' ' 59' ' ' ILE . 37.7 mt-30 -77.79 -21.35 51.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -79.67 135.69 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -114.19 120.41 38.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.96 141.41 26.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.672 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 18.2 p90 -132.33 159.17 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LYS . 80.7 m -108.64 136.28 48.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.52 145.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.41 35.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -74.27 147.6 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.42 134.74 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD22 HD13 ' A' ' 60' ' ' ILE . 3.6 mp -130.92 121.67 25.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.53 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 m -88.88 135.83 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 10' ' ' SER . 39.9 mm -65.46 129.31 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 55.0 t -104.11 -35.41 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -169.19 146.81 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.03 155.92 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 44' ' ' ASP . 1.7 p -118.73 173.97 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.95 5.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.99 161.5 38.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.586 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.98 -90.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 95.2 m-20 -86.64 41.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.772 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.1 m95 -131.22 115.84 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.9 m-85 -143.87 152.32 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -96.6 122.1 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.63 170.04 14.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.5 pttm -120.42 157.71 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.02 176.75 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -11.28 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.97 -14.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.58 2.68 57.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -69.96 151.12 45.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.78 134.87 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.537 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -177.4 170.75 43.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -96.62 146.75 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.829 HD13 HD22 ' A' ' 36' ' ' LEU . 28.8 pt -138.72 136.21 18.5 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.371 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.7 Cg_endo -74.96 116.35 4.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -55.38 -16.45 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -12.83 13.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 58.5 m-85 -128.47 0.75 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 62' ' ' ALA . 2.2 p -143.16 145.67 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -114.53 153.99 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -100.34 114.7 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -49.25 -28.35 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 122.13 6.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 150.36 38.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.831 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.92 176.06 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 157.23 42.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -57.56 153.0 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.237 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.16 87.39 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.8 p -72.3 136.96 81.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.87 14.38 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.21 -11.66 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 5.2 t -57.07 -25.55 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -10.82 14.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.53 131.61 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 38.8 t -111.62 124.32 68.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.67 117.94 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.0 pt-20 -78.64 55.48 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.65 14.06 6.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 p -80.96 134.47 35.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.81 126.27 45.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 136.09 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -106.57 130.77 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.49 124.94 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -107.01 -43.49 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 17.5 m-85 -113.64 133.27 55.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.09 93.81 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.372 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 30.4 t80 -93.65 135.47 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 178.24 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 125.42 25.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 20' ' ' PHE . 5.2 t -115.88 -14.05 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.71 25.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -56.34 -28.21 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.736 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.94 -20.79 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.11 136.75 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.752 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.37 121.94 32.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.76 23.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.2 p90 -118.73 178.1 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 4.7 m -116.18 121.21 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -44.17 138.25 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.77 -27.3 21.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 56.6 p30 -77.59 147.58 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.55 138.27 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.22 168.75 16.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 6.5 m -111.88 135.56 52.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.937 HD13 ' HB2' ' A' ' 50' ' ' ALA . 27.1 mm -73.23 137.83 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.4 t -104.73 -33.62 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.067 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.04 161.96 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.775 HG13 ' CD1' ' A' ' 48' ' ' TYR . 59.8 t -102.82 155.34 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 34.6 p -99.71 172.51 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -73.85 -20.53 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 14' ' ' GLU . 0.9 OUTLIER -91.93 153.13 43.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 170.03 21.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER 38.36 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 7.6 m95 -133.67 123.2 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.956 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.775 ' CD1' HG13 ' A' ' 41' ' ' VAL . 16.1 m-85 -152.32 140.73 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.5 ttpp -92.31 122.42 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.374 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.79 169.66 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.16 156.85 31.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 3.9 p30 -98.74 176.63 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -9.31 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -82.35 -13.53 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.72 -4.58 69.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -70.36 143.28 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -117.39 124.94 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.45 172.37 36.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.582 1.176 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -96.44 150.33 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.006 HD12 HG11 ' A' ' 65' ' ' VAL . 5.8 pt -146.29 132.54 9.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 122.86 7.5 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -58.71 -16.1 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.64 -11.74 18.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 72.4 m-85 -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 60' ' ' ILE . 2.5 p -144.75 145.01 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.65 152.43 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -99.48 114.56 27.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -29.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.08 149.75 36.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.897 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 149.43 36.7 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 4.4 pt-20 -54.56 127.74 29.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 79.4 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.46 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 69.1 p -64.8 145.89 98.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.462 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.55 21.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 57.2 mm-40 -60.54 -13.44 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 p -56.04 -34.07 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.001 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.538 ' C ' HD12 ' B' ' 21' ' ' ILE . 25.2 m-85 -54.51 -17.95 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 111.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.645 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -115.15 130.53 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.439 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 46.1 t -96.19 126.44 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 2.5 m -66.72 119.92 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.1 pt-20 -78.73 56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.66 -37.59 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -67.07 138.97 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 3.3 pt-20 -128.46 140.39 51.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.784 ' HB3' HG22 ' A' ' 65' ' ' VAL . 20.3 m -98.29 151.34 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 35' ' ' VAL . 14.9 mm -115.96 133.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 135.17 36.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -40.84 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 43.3 m-85 -103.16 150.6 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 91.92 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.724 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 13.6 t80 -92.34 127.9 37.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -67.81 -62.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.67 155.2 7.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.499 HG21 HD11 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -118.96 -35.94 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.368 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . . . -148.54 157.12 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.41 -6.08 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 5.0 mt-30 -86.43 -21.02 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 16.9 p30 -79.58 176.74 9.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 28' ' ' LEU . 11.8 mt -126.69 99.34 29.84 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.08 17.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 36' ' ' LEU . 5.5 p90 -140.75 -174.28 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' LYS . 3.6 m -118.18 134.83 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.61 125.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.0 -8.1 35.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -75.55 150.76 38.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.0 137.71 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 60' ' ' ILE . 1.7 mp -131.04 149.48 52.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.224 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.657 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m -106.83 135.25 48.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' SG ' ' A' ' 14' ' ' CYS . 25.3 mm -66.59 129.34 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 51.9 t -113.01 -35.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . . . -175.19 151.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -94.77 159.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 p -111.48 167.5 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.13 -40.71 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.338 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.75 153.93 41.03 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.708 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.03 -82.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.569 ' C ' ' O ' ' A' ' 45' ' ' PRO . 17.3 m-20 -27.2 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.803 ' CE3' HG22 ' A' ' 59' ' ' ILE . 6.7 m95 -80.1 123.3 27.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.708 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 67.2 m-85 -141.2 146.22 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.924 ' HE2' ' HB3' ' A' ' 40' ' ' ALA . 4.2 ttpt -103.05 122.92 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -139.08 171.18 14.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -113.87 157.77 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 36' ' ' LEU . 4.6 m-20 -98.22 177.52 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -10.75 60.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 22.3 m -84.21 -14.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.93 -0.04 57.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 151.4 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.96 124.82 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -162.41 -164.03 16.49 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -109.2 151.52 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.042 HD12 HG11 ' A' ' 65' ' ' VAL . 5.3 pt -146.63 129.03 7.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.1 122.61 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -59.71 -13.34 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -58.2 -16.23 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.5 m-85 -127.03 -1.62 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 60' ' ' ILE . 7.7 p -144.8 145.89 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -121.32 155.49 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.23 110.96 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -22.23 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.17 13.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 150.22 37.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.851 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.32 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 152.04 40.2 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.6 pt-20 -52.05 117.29 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -70.93 87.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.294 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.48 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.3 p -68.21 144.72 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.6 Cg_endo -74.95 -20.7 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.74 -13.41 32.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -56.87 -28.59 62.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.62 ' HB3' HD12 ' B' ' 21' ' ' ILE . 20.3 t80 -59.56 -14.11 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.38 131.63 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.836 HG11 ' HB1' ' A' ' 40' ' ' ALA . 76.9 t -110.21 132.52 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -69.75 117.76 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.5 pt-20 -78.64 55.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 24' ' ' GLU . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.429 ' CB ' HG21 ' A' ' 37' ' ' THR . 3.7 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.21 -115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -104.56 138.2 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.67 112.33 24.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.652 ' HB3' HG22 ' A' ' 65' ' ' VAL . 8.2 m -102.6 147.98 26.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.766 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -116.13 139.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.29 120.57 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -96.4 -45.98 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 9.3 m-85 -109.23 139.32 44.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -74.95 88.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 12.9 t80 -90.68 129.94 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -93.26 153.53 18.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.57 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -40.31 124.9 2.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 ' CG ' ' A' ' 27' ' ' ASP . 14.5 t -112.52 -26.07 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.475 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.46 152.34 39.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -34.29 59.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -86.4 -20.71 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' A' ' 23' ' ' THR . 25.8 t0 -54.46 169.76 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -133.6 100.0 13.89 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -75.04 133.8 16.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 25.9 p90 -139.67 179.79 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.31 131.94 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 144.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.79 -21.83 39.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.3 147.87 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 0.808 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.6 137.16 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.52 154.01 49.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.4 m -111.46 134.44 53.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.384 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 50' ' ' ALA . 9.3 mm -66.58 138.02 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 51' ' ' LYS . 60.2 t -113.0 -33.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.98 160.83 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 42' ' ' THR . 88.8 t -101.92 167.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 41' ' ' VAL . 29.4 p -120.42 168.27 11.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.72 -36.21 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -92.34 147.67 34.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.694 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.04 -79.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 m120 -33.54 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 59' ' ' ILE . 9.5 m95 -84.69 127.05 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 108.058 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.694 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 90.0 m-85 -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.2 tttt -100.74 122.22 42.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.977 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -138.39 170.36 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HB3' HG21 ' A' ' 39' ' ' VAL . 10.7 ptmt -114.75 155.67 26.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 5.6 p-10 -97.04 179.32 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 2.3 tmtm? -69.42 -11.06 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.18 -9.53 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.26 83.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 34.3 ttt180 -70.13 147.58 49.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -115.98 122.65 45.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.605 ' HA3' HD23 ' A' ' 28' ' ' LEU . . . -155.77 171.49 33.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -97.29 146.02 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.756 HD13 HG11 ' A' ' 65' ' ' VAL . 2.2 pp -146.56 131.72 9.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.01 126.68 10.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.44 -14.25 4.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.78 -7.56 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.619 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 57.2 m-85 -127.75 -1.22 6.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 15' ' ' ILE . 15.0 p -144.12 146.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -122.45 155.44 36.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -85.09 110.66 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.738 ' CG ' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -39.16 -32.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.23 13.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo -75.03 124.56 8.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.99 150.39 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.86 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.4 175.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.07 155.82 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.641 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.5 OUTLIER -49.94 130.66 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.86 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -81.59 89.82 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.592 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.0 OUTLIER -82.54 137.89 44.61 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.06 -22.39 14.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -64.31 -11.62 33.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 1.2 t -63.0 -27.75 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.516 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -59.44 -13.41 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -114.06 131.2 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.567 HG11 ' HB1' ' A' ' 40' ' ' ALA . 80.7 t -104.06 133.15 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.35 123.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.1 pt-20 -78.2 55.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -97.0 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -98.38 139.39 34.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 0.785 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 118.46 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HB3' HG22 ' A' ' 65' ' ' VAL . 10.5 m -98.29 140.89 31.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 108.352 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 HG23 ' A' ' 35' ' ' VAL . 8.3 mm -106.26 135.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.6 125.81 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.612 ' CE ' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -110.56 -42.99 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.612 ' CE1' ' CE ' ' A' ' 17' ' ' LYS . 7.2 m-30 -97.07 -175.27 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -119.98 72.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.635 1.21 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.7 t80 -83.3 115.74 22.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -89.24 41.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.629 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 59.69 145.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -110.75 -33.25 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.48 153.19 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.97 -24.86 59.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 tp60 -78.22 -20.57 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -77.79 -171.32 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.633 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -133.19 101.37 13.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 60' ' ' ILE . 10.1 p90 -141.06 173.27 11.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -115.28 146.98 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 141.6 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.81 -17.59 52.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.02 144.81 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.889 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.43 138.34 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.6 HD23 ' OD1' ' A' ' 52' ' ' ASN . 3.7 mp -130.09 157.67 41.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.0 m -116.12 131.39 56.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.078 HD13 ' HB2' ' A' ' 50' ' ' ALA . 34.3 mm -70.76 132.31 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.95 -31.7 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -168.58 156.21 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -99.37 160.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -111.0 169.76 8.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -37.3 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.08 153.06 43.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.654 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.91 -81.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 29.5 m-20 -33.04 -35.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.87 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.8 m95 -80.73 119.45 23.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.048 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 70.8 m-85 -136.63 141.85 43.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -94.15 121.89 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.078 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -135.48 171.46 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -125.2 157.82 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.633 ' OD1' HD13 ' A' ' 28' ' ' LEU . 2.8 m120 -96.5 177.42 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -10.91 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.86 -12.45 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.73 3.72 60.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.17 141.75 52.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -118.46 120.07 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -160.67 171.93 36.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.87 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.8 mp -95.41 144.75 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 4.4 tt -136.97 129.91 17.33 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.51 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 121.54 6.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.08 -16.65 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -63.0 -10.31 13.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 51.9 m-85 -125.88 -4.72 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.668 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.4 p -144.76 146.22 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -111.05 157.2 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 113.69 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -22.66 60.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.389 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 174.28 13.05 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.9 153.39 42.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -75.02 150.4 38.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.867 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.43 175.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.93 155.13 43.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.694 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.4 OUTLIER -50.32 135.66 21.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.867 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -86.57 74.58 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.55 HG22 ' HG3' ' B' ' 14' ' ' GLU . 6.9 p -72.03 140.89 83.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -75.0 -19.88 17.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -13.19 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.72 -26.14 66.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.6 -11.65 12.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.416 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -113.82 132.04 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.432 HG11 ' HB1' ' A' ' 40' ' ' ALA . 71.9 t -101.08 128.96 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.423 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.5 m -66.74 129.48 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.5 pt-20 -78.4 55.92 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 28.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 -17.48 4.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -84.8 136.55 33.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 0.821 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -106.96 124.02 49.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HB2' HG22 ' A' ' 65' ' ' VAL . 29.5 p -107.77 141.39 39.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.985 HD13 HG23 ' A' ' 35' ' ' VAL . 3.7 mm -111.07 128.39 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.398 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -82.87 128.7 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HE2' ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.72 -36.76 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 17' ' ' LYS . 60.0 m-85 -89.91 162.99 15.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -103.19 81.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 16.8 t80 -97.77 120.53 38.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' GLY . 78.3 m-70 -89.23 37.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 55.4 163.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -117.65 -34.75 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -20.91 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -77.02 -21.11 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.523 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.87 -170.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.847 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -132.47 99.89 15.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.78 13.61 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.8 p90 -140.38 -179.98 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -118.49 131.31 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' CYS . 15.9 pttp -39.69 128.74 2.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.12 -13.25 52.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -75.46 151.91 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.985 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD23 ' OD1' ' A' ' 52' ' ' ASN . 1.1 mp -131.76 151.82 51.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.439 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -113.46 131.23 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.941 HD13 ' HB2' ' A' ' 50' ' ' ALA . 28.4 mm -67.79 133.51 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.0 t -110.85 -30.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.8 154.21 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.231 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.5 158.39 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -109.4 167.06 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -35.78 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.722 ' OD1' HG21 ' B' ' 16' ' ' THR . 1.1 m-20 -92.61 151.85 41.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -82.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 3.1 m120 -32.99 -35.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.815 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -81.92 119.39 23.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 58.7 m-85 -135.56 144.33 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.66 122.51 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.941 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -137.3 169.95 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 3.4 pttt -119.27 157.86 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.847 ' OD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-20 -95.2 176.98 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -10.91 60.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.2 -13.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.74 1.72 60.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.96 118.77 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -157.78 168.44 34.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.589 1.18 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.815 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -95.56 146.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.93 HD12 HG11 ' A' ' 65' ' ' VAL . 1.3 pt -144.82 129.97 9.32 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.586 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 127.74 10.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.04 -15.76 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -13.25 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 11.0 m-85 -121.49 -9.08 9.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.81 145.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -103.04 153.8 19.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 115.79 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -24.37 6.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.27 13.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 121.49 6.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.91 150.36 38.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.871 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.05 174.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 153.47 42.02 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.501 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -50.54 120.72 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 89.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.722 HG21 ' OD1' ' A' ' 44' ' ' ASP . 4.2 p -75.81 136.99 69.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.47 11.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -66.02 -9.38 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -66.08 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 26' ' ' GLN . 2.7 m-85 -59.78 -13.87 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.544 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -114.68 131.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 40' ' ' ALA . 75.9 t -102.32 132.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.9 m -66.79 117.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.8 pt-20 -78.67 55.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.32 -116.53 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -102.98 139.37 38.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.7 111.79 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -96.69 142.25 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 35' ' ' VAL . 13.5 mm -114.8 130.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.751 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.55 136.89 36.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 -42.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 54.0 m-85 -109.53 155.33 21.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -96.42 82.65 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 20.1 t80 -78.34 119.24 21.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.13 -55.83 29.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.57 157.37 7.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -125.53 -36.75 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.68 157.63 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.21 -22.63 65.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.994 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -83.19 -13.18 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -76.45 150.93 36.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.5 pp -123.6 109.08 30.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.58 34.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 5.7 p90 -138.94 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.8 132.33 55.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.9 140.19 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.78 -20.18 51.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.51 151.38 37.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.63 137.77 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -130.73 153.13 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.14 125.78 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 50' ' ' ALA . 39.1 mm -67.38 134.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.1 t -112.92 -29.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -166.45 159.04 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 42' ' ' THR . 74.7 t -106.27 167.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 41' ' ' VAL . 18.3 p -115.43 172.09 7.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -72.99 -11.01 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.6 m-20 -91.98 166.53 17.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.03 -81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.567 ' CG ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 m-20 -75.52 52.51 0.64 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 23.6 m95 -142.71 119.59 11.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 28.1 m-85 -150.99 140.16 21.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 22.2 tttp -94.11 122.0 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.926 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -132.71 169.65 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -121.0 157.3 30.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 11.8 p30 -100.84 179.43 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -9.85 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.7 t -82.91 -13.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.47 -3.91 69.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -70.36 145.75 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -123.85 126.33 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.66 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.21 174.77 36.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.994 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -96.45 150.53 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 HG11 ' A' ' 65' ' ' VAL . 14.3 pt -145.03 133.16 10.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.93 124.02 8.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.567 ' HB3' ' CG ' ' A' ' 46' ' ' ASN . . . -56.17 -17.73 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.62 -12.54 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 26.3 m-85 -126.39 -2.73 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 60' ' ' ILE . 2.6 p -144.16 146.22 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.45 152.93 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.91 111.99 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -27.49 69.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.8 4.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.66 38.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.815 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.76 174.7 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.6 Cg_endo -74.94 151.01 39.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.547 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.7 pt-20 -53.78 122.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.4 88.39 3.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.603 HG23 ' OD2' ' A' ' 44' ' ' ASP . 42.9 p -76.78 146.92 77.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -74.99 -18.25 18.91 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.819 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 1.1 mp0 -62.53 -12.93 25.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -57.24 -30.41 64.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -57.41 -15.33 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.461 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.9 mp -113.79 131.3 66.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 69.3 t -94.52 133.06 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.7 m -77.22 128.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 7.9 pt-20 -78.44 55.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.476 ' HB3' HG21 ' A' ' 37' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.79 -106.26 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 p -105.12 131.42 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -110.63 126.23 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 25.5 m -104.07 148.95 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.814 HD13 HG23 ' A' ' 35' ' ' VAL . 10.5 mm -113.13 130.28 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.66 135.5 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.68 -43.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.6 m-85 -88.34 127.66 35.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -77.31 108.25 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.3 t80 -118.94 139.23 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -101.22 29.9 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.655 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . 65.52 141.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.605 HG21 HD11 ' B' ' 12' ' ' LEU . 7.4 t -120.22 -32.39 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.08 144.54 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.94 -27.61 61.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.832 ' O ' HD12 ' A' ' 59' ' ' ILE . 14.8 mt-30 -81.66 -21.25 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.04 153.71 32.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.926 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -122.18 117.15 29.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.93 144.62 30.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.931 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 15.1 p90 -139.66 174.16 10.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' LYS . 7.6 m -113.71 127.78 56.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.245 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' CYS . 11.8 pttt -37.26 126.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.03 -14.44 28.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 151.6 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.814 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.01 137.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -131.72 130.84 42.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 9.3 m -93.62 131.53 38.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.16 130.76 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.834 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.8 t -113.34 -33.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' CE ' ' A' ' 49' ' ' LYS . . . -169.32 159.85 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 48' ' ' TYR . 94.4 t -104.26 158.13 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 p -102.47 172.3 6.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -43.61 -38.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.76 155.09 39.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.653 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.84 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' PRO . 5.1 m120 -31.48 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.791 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.8 m95 -82.55 120.22 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 72.0 m-85 -136.76 144.1 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.726 ' CE ' ' HB3' ' A' ' 40' ' ' ALA . 19.9 ttpt -98.72 121.95 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.74 170.16 15.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' VAL . 11.8 mtpp -116.44 156.01 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' OD1' HD22 ' A' ' 28' ' ' LEU . 15.7 m120 -95.16 171.5 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -11.54 60.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.7 t -84.75 -12.66 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.97 52.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER -84.2 150.5 25.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.49 125.31 49.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.361 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.862 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -162.71 166.08 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.6 mp -96.28 150.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.869 HD12 HG11 ' A' ' 65' ' ' VAL . 6.7 pt -144.11 136.28 13.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.93 127.42 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.65 -23.05 66.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -71.56 -0.52 10.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 18' ' ' TYR . 4.1 m-85 -121.09 -8.15 9.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.869 HG11 HD12 ' A' ' 60' ' ' ILE . 1.7 m -143.95 168.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.526 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -135.86 136.45 40.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 111.44 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -61.09 -24.96 66.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.238 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 8' ' ' ILE . 18.4 Cg_endo -75.0 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo -75.0 130.25 13.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.6 Cg_endo -74.9 151.23 39.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.693 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.7 175.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 155.76 42.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.757 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.3 OUTLIER -51.58 140.06 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.757 HH21 ' HA ' ' B' ' 14' ' ' GLU . 0.3 OUTLIER -91.79 88.28 6.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.594 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -81.23 142.28 50.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.368 1.042 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 17.9 Cg_endo -75.08 -18.62 18.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -63.02 -12.14 23.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD12 ' B' ' 21' ' ' ILE . 27.6 t80 -60.75 -12.67 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.33 132.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.595 HG11 ' HB1' ' A' ' 40' ' ' ALA . 96.5 t -103.97 124.69 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.5 128.51 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 25' ' ' GLU . 6.6 pt-20 -78.48 56.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.3 tm-20 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA3' ' CG2' ' A' ' 37' ' ' THR . . . -131.0 93.13 0.3 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' THR . 80.8 p -65.35 138.13 57.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -80.81 114.59 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -100.34 135.51 41.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 HG23 ' A' ' 35' ' ' VAL . 2.1 mm -106.93 128.76 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 139.23 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -44.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 20.2 m-85 -111.4 132.9 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -79.84 102.15 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.648 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 39.8 t80 -106.09 126.46 52.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 32.6 t-80 -71.06 167.92 18.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.643 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG ' ' A' ' 21' ' ' HIS . . . -72.33 139.47 28.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.653 1.221 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.447 HG21 HD11 ' B' ' 12' ' ' LEU . 8.7 t -116.84 -31.78 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.11 50.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -55.29 -36.98 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' ILE . 4.3 mt-30 -77.01 -20.46 55.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -78.57 141.19 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.03 119.84 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.54 23.07 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.778 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -136.9 149.85 47.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -96.35 146.52 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 149.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.7 -26.67 11.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.01 140.34 54.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 35' ' ' VAL . 4.6 mp -131.88 143.19 49.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.729 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 46.7 m -97.98 136.66 37.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.27 135.01 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.9 t -115.15 -35.68 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.6 161.42 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 42' ' ' THR . 84.8 t -102.46 168.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.545 ' N ' HG12 ' A' ' 41' ' ' VAL . 11.8 p -124.31 172.32 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE3' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -75.11 -15.25 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -91.86 151.38 42.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 163.4 35.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER 37.92 31.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.761 ' CE3' HG22 ' A' ' 59' ' ' ILE . 12.4 m95 -126.64 121.08 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 24.1 m-85 -150.66 139.86 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.8 tttm -91.9 122.08 34.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.7 170.06 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -122.72 157.33 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' CB ' HG22 ' A' ' 54' ' ' VAL . 10.4 m120 -97.58 176.93 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 56' ' ' ARG . 5.0 m -83.85 -13.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.44 1.49 59.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.31 149.76 47.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -129.6 132.96 46.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -171.2 174.19 44.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -98.97 146.31 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.709 HD13 HG11 ' A' ' 65' ' ' VAL . 1.9 pp -145.38 134.76 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.0 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.756 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -62.54 -12.0 19.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -11.94 14.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.648 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 58.4 m-85 -126.9 -0.62 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.6 p -142.89 146.08 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 154.78 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -100.4 116.9 33.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.75 65.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.419 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.4 Cg_endo -74.88 174.39 12.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 154.32 42.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.817 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.0 Cg_endo -74.98 150.67 38.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.778 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.94 175.44 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.65 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.08 151.02 38.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.5 pt-20 -53.94 145.07 17.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.432 ' NH2' ' OG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -95.38 89.97 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.475 HG23 ' OD2' ' A' ' 44' ' ' ASP . 1.3 p -73.99 147.38 86.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.454 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.94 -21.28 16.15 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.513 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.65 -12.24 32.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.432 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 15.8 p -59.18 -30.19 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' B' ' 21' ' ' ILE . 4.7 t80 -56.24 -16.12 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -111.01 130.93 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.437 HG11 ' HB1' ' A' ' 40' ' ' ALA . 28.3 t -105.95 120.8 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 43' ' ' LYS . 1.1 m -66.61 129.44 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.9 pt-20 -78.19 56.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.4 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.208 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.633 ' HB3' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.09 -100.12 0.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -89.92 139.46 30.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.455 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.85 127.6 44.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.212 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.3 m -100.59 156.38 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 10.4 mm -119.24 133.59 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.78 126.74 31.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 -44.39 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 22.2 m-85 -106.35 134.31 49.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -74.32 79.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.613 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 6.1 t80 -77.6 108.98 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.94 -47.61 80.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.15 149.48 5.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 -34.17 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -132.44 144.34 50.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.13 -13.61 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.776 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.83 -15.1 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -62.98 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -134.75 98.38 13.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -140.77 177.55 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.9 m -122.99 137.3 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 108.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.68 138.36 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.29 -21.23 46.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.62 147.88 39.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.34 136.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.57 157.43 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.633 HG22 ' HB3' ' A' ' 10' ' ' SER . 1.0 OUTLIER -108.34 128.59 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.911 HD11 ' HB3' ' A' ' 48' ' ' TYR . 4.5 tp -68.46 138.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -109.15 -35.83 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.221 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.37 161.8 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.651 HG22 ' HD1' ' A' ' 48' ' ' TYR . 96.9 t -95.26 163.57 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' HG12 ' A' ' 41' ' ' VAL . 41.3 p -110.63 173.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.4 mptp? -60.53 -24.16 65.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.522 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -91.18 158.27 41.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.636 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.04 -66.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -75.87 42.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.671 ' CE3' HG22 ' A' ' 59' ' ' ILE . 30.2 m95 -144.93 127.98 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.911 ' HB3' HD11 ' A' ' 38' ' ' ILE . 80.5 m-85 -153.56 138.84 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.6 tttt -92.33 120.87 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.993 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.04 170.39 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.6 ptmm? -123.26 157.17 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.5 175.83 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -11.68 60.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 13.8 m -84.45 -10.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.64 59.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.45 150.87 45.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.86 125.46 30.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -166.24 171.62 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.564 1.165 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -95.89 144.75 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.638 ' CD1' HG11 ' A' ' 65' ' ' VAL . 14.7 pt -139.83 138.65 20.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.01 125.93 9.64 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.97 -19.55 44.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -4.5 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.613 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 60.4 m-85 -127.2 -3.85 6.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 60' ' ' ILE . 14.4 p -144.44 147.1 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -117.73 156.89 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.37 116.62 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -21.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.249 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 110.292 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 174.44 12.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.548 1.815 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.1 Cg_endo -75.08 146.46 32.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.812 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 150.04 37.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.897 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 148.48 35.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.7 pt-20 -51.19 117.36 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.693 HH12 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -67.85 95.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 16' ' ' THR . 1.3 p -78.9 145.42 65.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -75.03 -13.29 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -61.46 -12.86 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -30.66 62.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.5 OUTLIER -58.07 -14.99 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.29 132.09 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 43.3 t -93.46 124.16 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.79 117.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.53 55.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.0 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.435 ' N ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.39 -74.47 0.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.408 HG21 ' HZ3' ' A' ' 67' ' ' LYS . 72.4 p -84.08 139.18 32.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 135.98 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' O ' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.26 139.15 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 108.344 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.7 mp -109.11 129.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.09 136.3 36.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -43.1 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 25.3 m-85 -111.39 128.72 56.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -82.55 98.78 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -114.63 119.23 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 179.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.52 145.5 21.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.444 HG21 HD11 ' B' ' 12' ' ' LEU . 9.1 t -117.08 -34.45 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' A' ' 27' ' ' ASP . . . -120.69 148.64 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.64 -30.71 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 59' ' ' ILE . 32.0 mt-30 -81.08 -22.01 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 5.8 m-20 -79.62 149.34 31.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.4 pp -126.84 124.75 24.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.04 29.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 17.2 p90 -134.67 166.33 23.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.4 m -112.2 127.51 55.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.71 145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.1 -25.37 25.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 38.1 m-20 -75.58 134.86 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.97 136.29 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.13 175.2 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 10' ' ' SER . 1.4 m -117.48 131.37 56.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.433 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' HB2' ' A' ' 50' ' ' ALA . 33.2 mm -68.01 137.85 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.656 HG21 ' CD ' ' A' ' 51' ' ' LYS . 35.7 t -105.86 -33.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.81 162.5 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 48' ' ' TYR . 20.2 t -102.66 162.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 48' ' ' TYR . 24.1 p -106.26 172.5 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.7 OUTLIER -63.89 -35.42 80.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.07 146.98 32.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.07 163.09 35.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 12.7 t30 66.54 3.8 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.8 m95 -122.46 116.61 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.727 ' CD1' HG22 ' A' ' 41' ' ' VAL . 20.0 m-85 -147.58 143.67 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 30.8 ttpt -93.24 120.61 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.847 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -133.42 169.58 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' CD ' HG21 ' A' ' 39' ' ' VAL . 11.3 mtpp -120.66 154.37 35.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' CB ' HG22 ' A' ' 54' ' ' VAL . 7.7 m-20 -92.91 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -11.48 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 52' ' ' ASN . 29.8 m -84.19 -10.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.06 21.15 31.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.525 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.95 153.88 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.01 128.08 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.746 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -174.79 167.79 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -94.84 149.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 28' ' ' LEU . 39.1 pt -145.54 134.68 11.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.594 ' HA ' ' O ' ' A' ' 46' ' ' ASN . 18.3 Cg_endo -75.03 121.62 6.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.793 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -54.27 -14.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -58.89 -15.46 12.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 57.4 m-85 -128.3 0.35 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG13 ' HA ' ' A' ' 62' ' ' ALA . 3.2 p -143.46 146.18 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.9 156.24 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HZ3' HG21 ' A' ' 12' ' ' THR . 11.5 ttpp -107.55 119.52 39.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -61.26 -29.55 69.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 174.4 12.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.6 Cg_endo -74.97 152.43 40.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 149.82 37.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.898 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.31 175.46 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.16 152.0 39.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' B' ' 16' ' ' THR . 0.8 OUTLIER -54.13 135.46 43.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 82.88 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.463 HG22 ' HG3' ' B' ' 14' ' ' GLU . 11.9 p -67.01 141.42 96.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.466 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 6.2 mm-40 -61.38 -13.08 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -56.51 -30.69 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.515 ' HB3' HD12 ' B' ' 21' ' ' ILE . 1.3 t80 -57.75 -15.25 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -113.42 132.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 89.9 t -101.99 117.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.0 m -66.68 117.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.67 55.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.16 4.44 7.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.422 1.076 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' ILE . 3.3 p -89.26 133.04 34.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.356 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -122.44 124.59 43.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.989 ' SG ' HD11 ' A' ' 38' ' ' ILE . 55.7 m -96.56 147.91 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.872 HD11 ' HB3' ' A' ' 68' ' ' ARG . 1.5 mp -109.65 131.58 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.0 124.02 26.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -95.94 -43.19 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 14.2 m-85 -110.21 161.37 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -96.55 84.61 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 3.5 t80 -78.11 131.73 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -90.52 26.0 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 58.9 149.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 HD11 ' B' ' 12' ' ' LEU . 5.1 t -121.75 -34.88 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.34 144.07 48.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.078 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.9 -17.19 35.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -85.22 -20.61 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.2 165.19 23.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 12.6 mt -115.71 106.46 50.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -140.57 179.07 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -122.81 144.07 49.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.84 137.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.72 -18.05 55.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -74.71 137.94 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.05 138.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.3 mp -129.67 150.38 51.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -106.41 130.26 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.989 HD11 ' SG ' ' A' ' 14' ' ' CYS . 4.9 mp -69.63 134.26 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG21 ' HG3' ' A' ' 51' ' ' LYS . 2.8 t -123.22 -36.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -157.02 157.28 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 42' ' ' THR . 99.2 t -107.92 168.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.565 ' N ' HG12 ' A' ' 41' ' ' VAL . 14.5 p -115.25 169.4 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' CB ' ' HB2' ' B' ' 18' ' ' GLU . 7.7 tptp -45.33 -35.9 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.36 154.55 42.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.668 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.97 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 12.1 m120 -33.37 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.796 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.56 121.09 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 63.4 m-85 -138.62 145.47 40.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 1.173 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 2.1 ttmm -99.51 122.99 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.44 170.37 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 57' ' ' GLU . 26.6 mtmt -117.57 158.13 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 28' ' ' LEU . 3.0 m-20 -98.15 169.54 9.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -11.28 60.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 52' ' ' ASN . 28.3 m -84.1 -12.87 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.95 34.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.5 mmt180 -82.24 152.04 26.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 1.4 pt-20 -136.41 129.32 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.187 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -172.92 -163.76 27.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -108.22 151.39 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.846 HD12 HG11 ' A' ' 65' ' ' VAL . 21.2 pt -143.33 129.46 10.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 122.27 7.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.557 1.819 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.82 -20.36 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.36 -7.16 17.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 28.9 m-85 -125.28 -5.65 7.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 60' ' ' ILE . 7.6 p -144.66 149.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -115.33 160.07 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -93.97 114.95 27.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -49.76 -32.02 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.5 12.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.95 154.79 42.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.94 150.69 38.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.898 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.59 175.85 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 155.11 42.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.706 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.1 pt-20 -52.53 137.83 29.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.898 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -88.33 86.6 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.567 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.2 p -81.32 144.04 53.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HB2' ' CB ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -62.08 -13.03 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p -58.51 -31.58 68.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -55.8 -16.87 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.7 mp -112.09 131.61 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.409 HG11 ' HB1' ' A' ' 40' ' ' ALA . 54.0 t -103.51 125.27 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.416 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.4 m -66.65 117.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.8 pt-20 -78.65 55.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.96 -71.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -85.5 139.39 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -106.71 131.01 54.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 60' ' ' ILE . 17.4 p -115.58 151.67 34.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -117.05 135.6 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' LYS . . . -79.18 125.24 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.4 -43.6 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 51.5 m-85 -97.32 130.53 44.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -75.48 109.28 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -108.89 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -91.04 29.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 135.39 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.601 ' HB ' ' CE1' ' A' ' 20' ' ' PHE . 8.0 t -114.42 -29.64 6.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.441 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.63 151.73 49.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.85 -28.23 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 59' ' ' ILE . 10.4 mt-30 -81.88 -19.51 40.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.63 158.31 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 HD21 ' A' ' 36' ' ' LEU . 2.3 pp -126.7 112.56 22.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.4 30.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.5 -171.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LYS . 51.5 m -122.07 129.06 52.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' CYS . 12.2 pttt -39.14 130.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.32 -18.2 30.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -75.63 145.84 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.93 137.83 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 28' ' ' LEU . 3.9 mp -130.81 142.01 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 127.03 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.33 136.96 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 78.5 t -113.79 -33.88 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.51 161.54 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 48' ' ' TYR . 48.9 t -103.1 152.77 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' HA ' ' A' ' 48' ' ' TYR . 18.2 p -98.23 173.81 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -14.36 62.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.61 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.7 m-20 -91.9 166.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.97 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -75.05 49.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.4 m95 -142.53 121.94 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.058 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.766 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.0 m-85 -151.33 139.3 20.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.6 tttm -90.63 121.64 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.88 170.68 13.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.383 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -120.73 157.58 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.49 ' HB2' HG22 ' A' ' 54' ' ' VAL . 14.8 m120 -91.98 172.57 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -12.21 61.33 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.461 1.101 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 52' ' ' ASN . 26.3 m -85.78 -13.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.75 13.83 36.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -76.27 150.54 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.12 121.42 34.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.716 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.13 169.89 39.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.9 mp -95.88 151.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 65' ' ' VAL . 10.7 pt -143.85 131.99 10.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 122.44 7.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.19 -21.4 59.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -71.24 -1.03 11.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 10.7 m-85 -126.42 -1.73 6.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -144.18 162.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.24 133.84 55.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.33 111.9 20.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -27.76 39.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.28 13.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo -75.1 148.9 35.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -74.96 150.16 37.94 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.869 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.15 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.604 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 149.48 36.74 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.458 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -57.55 125.14 21.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 85.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.61 HG23 ' OD2' ' A' ' 44' ' ' ASP . 14.3 p -66.37 147.34 98.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.94 -16.53 20.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.28 -12.32 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -56.39 -30.91 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.633 ' HB3' HD12 ' B' ' 21' ' ' ILE . 18.8 t80 -57.89 -15.73 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -115.48 131.04 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.505 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 20.5 t -90.78 122.19 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -65.19 123.71 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.8 pt-20 -78.27 54.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.8 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 37' ' ' THR . 15.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.24 -76.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 p -92.43 139.77 30.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -116.1 132.06 56.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.592 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.4 m -105.45 149.79 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.9 mp -110.91 131.97 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.73 136.58 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -43.6 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 18' ' ' TYR . 17.1 m-85 -112.05 128.54 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -74.6 100.49 3.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 39.3 t80 -102.7 176.97 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.426 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -114.17 -80.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.639 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.52 161.15 10.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.725 HG21 HD11 ' B' ' 12' ' ' LEU . 4.0 p -114.62 -38.13 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.5 158.01 16.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -68.13 -10.16 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.973 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -97.04 -14.28 21.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 5.0 m-20 -76.03 130.17 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -120.38 119.39 30.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' HIS . 18.3 Cg_endo -74.99 155.21 42.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.683 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -122.41 -179.73 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.52 131.64 56.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.277 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 133.19 9.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.77 -15.38 63.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -75.76 151.34 37.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.58 138.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 60' ' ' ILE . 3.9 mp -129.55 150.35 50.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.674 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -107.37 135.74 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.643 HD13 ' HE2' ' A' ' 67' ' ' LYS . 2.1 tp -68.99 135.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.6 t -113.26 -34.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.96 161.14 2.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.67 160.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.461 HG23 ' HA ' ' A' ' 48' ' ' TYR . 22.3 p -112.97 171.45 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -76.13 -4.46 41.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' ' OG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER -100.05 157.64 33.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 158.46 42.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.778 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER 33.5 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.9 m95 -129.8 116.95 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.05 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 46' ' ' ASN . 1.4 m-85 -149.2 148.22 29.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.1 ttpt -93.27 122.28 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.85 170.16 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.94 157.39 34.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -95.95 174.28 7.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -10.97 60.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.33 -13.29 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 4.79 56.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.29 148.0 49.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -126.89 130.65 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.767 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -178.11 173.68 46.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.973 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.03 147.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 HG11 ' A' ' 65' ' ' VAL . 32.9 pt -136.63 131.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -56.63 -17.11 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -11.06 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.4 m-85 -127.06 -1.27 6.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 15' ' ' ILE . 2.7 p -142.93 145.26 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.66 154.67 23.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.35 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -96.92 115.48 27.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -41.01 -32.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 150.56 38.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.872 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.25 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 153.72 41.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 8.1 pm0 -53.37 144.36 16.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 70.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.526 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 80.7 p -66.06 147.32 98.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -11.8 21.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 2.7 mp0 -62.93 -11.79 20.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -59.34 -29.68 67.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.462 ' C ' HD12 ' B' ' 21' ' ' ILE . 28.4 t80 -57.66 -14.64 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.564 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -113.63 130.79 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.49 125.55 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.415 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.2 m -66.84 116.84 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.6 pt-20 -78.65 56.19 1.8 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 24' ' ' GLU . 19.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.59 -99.9 0.29 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -103.37 139.66 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.45 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 1.4 mm-40 -104.37 130.96 52.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.634 ' HB3' HG22 ' A' ' 65' ' ' VAL . 7.4 m -107.6 148.52 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.806 HD13 HG23 ' A' ' 35' ' ' VAL . 40.2 mm -110.57 132.06 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.17 125.71 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -44.75 3.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 54.1 m-85 -104.05 132.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.7 p-10 -78.29 95.92 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 4.5 t80 -86.28 136.78 33.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -53.66 6.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.654 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.99 137.78 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -120.27 -31.36 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.8 143.53 50.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -19.97 49.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.739 ' O ' HD12 ' A' ' 59' ' ' ILE . 31.5 mt-30 -82.97 -21.83 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.02 146.88 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.907 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.9 pp -117.42 113.45 38.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.54 33.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.837 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.4 p90 -139.24 -176.26 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -122.71 133.6 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -39.39 135.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.43 -15.3 58.92 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.47 144.86 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.806 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.98 135.91 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.0 mm? -125.67 160.13 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.65 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -115.19 128.46 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.1 mm -66.71 131.62 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 77.3 t -114.24 -34.8 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.589 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -166.92 161.19 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 48' ' ' TYR . 15.5 t -103.69 149.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 11.6 p -97.3 172.84 7.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -24.59 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -91.5 153.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.06 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.506 1.793 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' B' ' 13' ' ' PRO . 87.3 m-20 -80.82 41.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CE3' HG22 ' A' ' 59' ' ' ILE . 26.5 m95 -146.95 127.04 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 91.2 m-85 -150.23 137.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.4 ttpt -95.04 120.91 36.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.392 1.057 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -132.22 170.09 15.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -119.93 150.9 39.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 36' ' ' LEU . 3.7 m-20 -86.04 174.4 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -71.88 -11.12 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 56' ' ' ARG . 16.8 m -84.15 -11.43 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.5 10.93 55.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -79.06 151.82 31.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -127.43 127.01 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.907 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.69 170.92 39.99 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.786 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -99.67 148.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.599 HD12 HG11 ' A' ' 65' ' ' VAL . 6.6 pt -143.43 141.22 18.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.06 131.09 13.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.552 1.817 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.83 -28.47 68.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -3.08 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 7.9 m-85 -120.53 -12.03 8.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 14' ' ' CYS . 2.5 p -145.11 145.37 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -109.06 154.78 21.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.5 117.08 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -23.95 51.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.1 Cg_endo -75.04 174.35 12.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.14 42.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.06 150.54 38.07 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.848 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.34 175.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' CB ' ' A' ' 46' ' ' ASN . 18.2 Cg_endo -75.05 148.68 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' B' ' 16' ' ' THR . 4.2 pt-20 -54.76 120.62 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.58 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -77.27 90.38 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.563 HG22 ' HG3' ' B' ' 14' ' ' GLU . 30.7 p -79.11 147.86 70.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.95 -18.84 18.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -12.36 21.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.509 ' CB ' HH21 ' B' ' 15' ' ' ARG . 89.6 p -56.09 -31.29 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.405 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -56.5 -16.45 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.479 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.8 mp -112.48 131.9 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.589 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.9 t -101.19 125.94 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.438 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.7 m -68.72 118.29 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.61 55.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.5 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.541 ' HB3' HG21 ' A' ' 37' ' ' THR . 29.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.14 -115.79 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 38' ' ' ILE . 25.0 p -102.63 140.8 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.09 121.69 43.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.593 ' HB3' HG22 ' A' ' 65' ' ' VAL . 2.3 m -96.93 142.56 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.67 HD11 ' HB2' ' A' ' 68' ' ' ARG . 1.1 mp -118.73 132.15 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.99 125.18 29.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -51.39 10.34 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 8.3 p90 -143.8 -172.61 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 13.5 t-20 -73.42 150.0 42.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.625 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -124.41 -51.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 111.061 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 19.0 t60 90.8 111.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.65 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' HIS . . . -36.79 131.66 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 HD11 ' B' ' 12' ' ' LEU . 13.1 t -111.93 -25.68 9.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.492 0.76 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.03 147.38 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.67 -18.37 30.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.648 ' O ' HD12 ' A' ' 59' ' ' ILE . 38.9 mt-30 -88.53 -20.51 24.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 1.6 t70 -78.8 156.37 28.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' HA3' ' A' ' 58' ' ' GLY . 61.2 mt -119.68 100.49 49.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.54 20.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -138.4 -174.34 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.82 152.74 39.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -47.32 141.43 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -19.55 53.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.419 1.075 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -71.61 135.28 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.65 139.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.6 mp -130.05 162.78 27.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -109.08 133.59 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -66.27 137.21 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 62.0 t -117.82 -35.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -175.45 159.61 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 42' ' ' THR . 63.3 t -97.21 164.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 41' ' ' VAL . 25.0 p -116.78 173.67 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.24 67.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -91.54 154.74 44.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.627 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.98 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 41.8 m-20 -79.1 40.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.684 ' HE3' HG22 ' A' ' 59' ' ' ILE . 24.2 m95 -142.94 127.11 17.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 89.2 m-85 -153.01 140.62 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -93.76 122.48 36.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -134.1 168.39 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -118.86 155.9 30.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.216 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' A' ' 54' ' ' VAL . 8.9 m120 -96.39 176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -9.96 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.1 p -83.46 -14.38 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 -2.57 56.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -69.47 150.36 47.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 0.715 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.65 132.05 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -164.77 -161.15 13.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -111.4 150.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.894 HD12 HG11 ' A' ' 65' ' ' VAL . 7.0 pt -145.95 132.65 9.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.603 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.6 Cg_endo -74.98 120.83 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.79 -15.46 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -9.48 30.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 92.0 m-85 -126.3 -2.47 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.83 145.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -111.55 154.77 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 113.37 25.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.621 1.201 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.64 -24.93 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 174.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.749 . . . . 0.0 110.972 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo -75.0 148.21 34.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.1 Cg_endo -75.03 150.09 37.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.904 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -50.31 115.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -66.85 91.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.414 1.071 . . . . 0.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.44 HG23 ' H ' ' B' ' 16' ' ' THR . 1.6 p -73.29 146.15 86.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.96 20.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -15.92 58.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.478 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.9 p -56.76 -29.55 62.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.522 ' HB3' HD12 ' B' ' 21' ' ' ILE . 39.1 t80 -58.43 -14.83 8.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.13 131.73 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.532 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 21.6 t -89.59 118.73 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -65.93 115.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.4 pt-20 -78.66 54.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . 26.5 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.62 -59.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -67.21 134.64 52.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.2 tt0 -105.23 123.47 47.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HD11 ' A' ' 38' ' ' ILE . 19.0 m -96.24 137.36 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.347 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 HG23 ' A' ' 35' ' ' VAL . 19.0 mm -107.15 129.36 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -80.52 120.33 24.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' CD2' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -72.45 -49.45 33.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -151.26 -169.78 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -81.74 121.89 26.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.824 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.5 t80 -99.09 110.18 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.61 -44.99 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.04 152.39 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -119.7 -36.08 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.409 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.91 148.15 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.4 -13.72 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -87.8 -16.99 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -61.54 -169.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -134.33 100.65 12.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 133.47 16.53 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.638 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 10.6 p90 -139.33 178.75 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 57.3 m -119.15 142.54 47.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 18' ' ' TYR . 1.1 pttt -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.41 -5.9 84.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 17.1 t0 -74.96 147.77 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.682 HG22 ' HG2' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -112.8 137.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -131.4 155.03 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.504 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -114.91 132.91 56.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.048 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.3 mm -81.72 128.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.933 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.7 t -104.74 -34.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.38 131.58 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 48' ' ' TYR . 29.6 t -92.36 149.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 48' ' ' TYR . 30.1 p -87.52 174.97 8.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -28.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -100.97 152.51 37.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.695 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -75.01 -63.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.818 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 26.9 m-80 -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE3' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -105.55 114.84 29.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.849 ' OH ' ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -152.84 152.69 31.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.21 122.9 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.048 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -125.07 169.53 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.933 ' HD3' HG21 ' A' ' 39' ' ' VAL . 16.2 mtpt -125.51 155.96 39.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -100.75 176.29 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -12.72 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 15.5 m -85.4 -8.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.77 63.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.419 1.074 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -70.42 148.38 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' CG ' ' HG2' ' A' ' 51' ' ' LYS . 1.1 mt-10 -127.87 129.58 47.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 28' ' ' LEU . . . -174.98 171.03 44.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -96.7 146.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 36' ' ' LEU . 49.1 pt -135.2 128.43 18.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.538 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.97 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -60.35 -18.96 53.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -10.11 32.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.9 m-85 -126.53 -3.55 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -144.86 155.58 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.82 131.78 49.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 109.07 6.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 14.1 ptt180 -41.32 -31.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 33.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.229 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.16 13.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.397 1.735 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.97 132.4 15.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.97 150.5 38.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.834 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 152.31 40.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.9 pt-20 -51.67 126.23 17.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.07 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 88.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.507 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.0 p -73.15 140.51 80.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.483 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.04 -23.68 13.49 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.418 1.746 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.16 -12.31 19.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.48 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -57.0 -31.23 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' B' ' 21' ' ' ILE . 28.3 t80 -55.54 -15.85 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -115.13 129.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.98 139.2 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -67.81 128.4 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.37 56.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.466 ' HB2' HG21 ' A' ' 37' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.8 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.732 ' OG1' HD13 ' A' ' 38' ' ' ILE . 3.0 p -105.01 140.6 37.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 0.718 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.87 112.1 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -97.46 133.58 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.805 HD13 HG23 ' A' ' 35' ' ' VAL . 10.1 mm -107.24 130.88 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.55 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -77.54 128.37 34.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -42.32 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 45.3 m-85 -102.02 170.47 8.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -112.06 74.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 2.6 t80 -80.83 126.97 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -91.04 34.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' CA ' ' OD1' ' A' ' 27' ' ' ASP . . . 58.57 150.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.53 HG21 ' CD1' ' B' ' 12' ' ' LEU . 7.0 t -124.45 -34.0 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.05 149.71 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.3 -36.5 71.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.349 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.822 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm-40 -72.61 -21.41 61.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CA ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -79.95 151.24 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.838 HD23 ' CA ' ' A' ' 58' ' ' GLY . 2.3 pp -122.93 121.89 27.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 146.65 32.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.1 p90 -139.17 154.25 48.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.6 m -94.83 122.29 37.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.85 146.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.082 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 -24.71 28.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 31' ' ' CYS . 3.6 p-10 -75.19 155.72 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.78 139.29 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 60' ' ' ILE . 2.1 mt -128.2 139.04 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 10' ' ' SER . 3.8 m -101.82 134.49 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.732 HD13 ' OG1' ' A' ' 12' ' ' THR . 1.1 mp -65.87 133.74 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.8 t -106.7 -32.34 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.1 150.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 42' ' ' THR . 76.8 t -100.87 159.81 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' ASP . 2.8 p -123.01 173.72 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.55 5.5 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.619 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.61 161.33 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.578 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.99 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.856 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 75.0 m-20 -87.0 41.95 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.771 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.4 m95 -130.95 115.88 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.7 m-85 -143.95 151.09 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.4 tttt -95.85 121.65 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.17 169.58 15.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 48.9 pttt -119.42 157.19 28.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.537 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.49 179.45 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.07 -10.66 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG2' ' HE2' ' A' ' 53' ' ' LYS . 46.8 t -83.67 -11.83 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.26 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -71.13 149.06 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.231 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' A' ' 51' ' ' LYS . 11.1 mp0 -119.55 128.24 53.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.838 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -166.23 170.55 40.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mp -96.56 146.45 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 36' ' ' LEU . 38.2 pt -137.7 136.11 19.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.08 122.72 7.35 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -57.56 -18.21 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.95 -8.43 22.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.689 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 19.5 m-85 -127.1 -1.59 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.2 p -143.87 146.63 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -113.93 157.23 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.42 114.62 28.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -50.97 -23.72 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.242 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 174.26 13.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.93 136.24 20.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -75.01 150.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.86 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.28 176.21 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.67 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.5 pt-20 -58.55 150.56 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 91.79 7.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.448 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p -78.24 138.02 60.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -21.24 16.21 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.38 -11.89 18.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 82.1 p -57.06 -27.9 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.537 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -61.43 -15.59 38.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.95 131.52 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 42.8 t -105.08 119.75 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -66.74 139.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 22.0 mt-10 -86.53 54.32 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.15 -20.55 3.37 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.1 p -78.93 139.13 38.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.68 128.94 50.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.581 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.03 137.79 34.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.913 HD13 HG23 ' A' ' 35' ' ' VAL . 3.5 mm -109.44 133.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -80.09 122.86 27.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -105.56 -43.25 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 29.8 m-85 -114.15 161.46 17.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.45 104.27 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.75 125.68 45.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -76.68 145.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.0 147.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.613 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -114.68 -29.86 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.25 153.24 50.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.77 -33.55 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.911 ' HG2' HD11 ' A' ' 59' ' ' ILE . 1.9 tp60 -81.16 -15.8 54.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.072 . . . . 0.0 110.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -80.37 176.94 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 60' ' ' ILE . 85.5 mt -134.23 138.97 31.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.078 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 137.61 22.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 1.181 ' CE1' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -117.21 139.23 51.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.0 t -125.89 114.3 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.382 1.051 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -32.14 130.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 -19.58 54.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.06 140.4 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.913 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.95 139.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.181 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.1 mp -129.63 165.85 20.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.731 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.0 m -112.76 134.17 54.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 38' ' ' ILE . 20.0 mm -70.12 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.496 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 94.8 t -115.84 -35.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.3 161.27 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.592 ' H ' HG13 ' B' ' 22' ' ' VAL . 45.4 t -96.21 170.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 48' ' ' TYR . 25.4 p -121.51 172.48 8.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -66.27 -21.71 66.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.519 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 5.9 m-20 -92.13 160.66 35.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.592 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.94 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 24.4 m-20 -79.35 47.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.73 ' CE3' HG22 ' A' ' 59' ' ' ILE . 18.9 m95 -145.64 125.29 13.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 107.975 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.65 ' HA ' HG23 ' A' ' 42' ' ' THR . 73.9 m-85 -152.58 143.5 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -93.61 121.98 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -138.15 171.0 15.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.39 1.056 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.8 pttt -119.56 157.98 27.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 36' ' ' LEU . 11.4 m120 -99.02 177.43 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -72.35 -12.24 61.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 56' ' ' ARG . 2.3 m -83.43 -8.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 3.3 62.73 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.69 148.96 48.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' C ' HD11 ' A' ' 28' ' ' LEU . 6.8 pt-20 -137.3 130.76 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 28' ' ' LEU . . . -177.34 -167.25 35.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.911 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -103.48 149.9 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.936 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -143.12 142.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.798 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.4 Cg_endo -74.92 116.88 4.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.678 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -64.24 -11.43 31.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.56 -10.77 13.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 26.4 m-85 -126.95 -0.97 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 60' ' ' ILE . 2.3 p -143.69 145.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 150.97 46.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 109.27 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -50.61 -21.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.28 13.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 151.57 39.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.88 150.56 38.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.833 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.71 174.34 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 150.92 39.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -56.01 116.86 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.123 . . . . 0.0 110.392 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.559 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -65.44 87.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.431 HG23 ' H ' ' B' ' 16' ' ' THR . 4.4 p -66.66 148.9 98.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.31 20.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 14.5 mt-10 -61.65 -13.61 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -56.93 -31.32 64.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.471 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.0 OUTLIER -56.93 -16.09 6.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.573 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.7 mp -114.62 130.54 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.592 HG13 ' H ' ' A' ' 41' ' ' VAL . 3.6 t -89.83 134.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.404 HG12 ' HE3' ' A' ' 43' ' ' LYS . 2.5 m -67.02 117.72 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.56 55.33 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.02 8.07 9.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 73.6 p -84.71 137.98 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 0.826 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -108.91 126.66 53.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.11 145.1 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -112.4 132.06 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.26 127.67 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -45.19 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 33.6 m-85 -101.91 134.72 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.498 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -74.16 79.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 5.0 t80 -78.07 97.04 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -47.33 -48.48 25.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.38 151.33 5.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -116.4 -34.94 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -151.47 151.95 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -63.04 -11.58 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -83.16 -21.3 33.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -78.24 -167.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB2' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.23 99.08 14.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -140.29 -176.03 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -122.72 134.55 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 108.348 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -42.39 134.13 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.6 58.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -75.31 143.99 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.67 137.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.051 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.67 159.84 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.515 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m -108.55 134.38 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.51 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 1.9 tp -66.63 136.89 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 19.7 t -109.94 -36.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -176.98 159.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.901 HG13 ' CD1' ' A' ' 48' ' ' TYR . 14.5 t -102.78 149.05 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 48' ' ' TYR . 11.3 p -95.63 172.37 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -62.97 -33.89 76.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.698 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -91.82 148.11 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.577 ' C ' ' H ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 163.61 35.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 5.1 t30 70.41 -39.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.861 ' CE3' HG22 ' A' ' 59' ' ' ILE . 2.0 m95 -80.27 121.57 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.901 ' CD1' HG13 ' A' ' 41' ' ' VAL . 20.7 m-85 -148.81 144.47 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 39.9 tttt -92.62 121.32 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -136.76 169.72 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 5.1 ptmt -119.52 157.33 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -97.83 178.18 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -11.4 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 3.6 m -84.59 -13.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.09 3.12 60.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 2.0 tpt180 -70.32 150.66 46.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.34 127.38 47.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -170.01 171.95 43.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.861 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.4 mp -95.99 147.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.114 HD12 HG11 ' A' ' 65' ' ' VAL . 1.7 pt -141.93 129.96 11.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.554 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -56.2 -17.75 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 66.7 t30 -63.37 -11.29 21.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 73.5 m-85 -125.14 -4.73 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.114 HG11 HD12 ' A' ' 60' ' ' ILE . 1.5 p -145.04 146.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.15 152.64 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.57 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -23.52 65.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.992 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.91 42.79 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.394 1.734 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.8 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.844 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.06 175.47 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 156.46 43.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.57 1.826 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' THR . 0.1 OUTLIER -56.51 120.08 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.512 ' H ' ' NE ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -65.63 78.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.698 HG21 ' OD1' ' A' ' 44' ' ' ASP . 20.4 p -65.3 136.49 96.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.86 -21.66 15.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 2.0 pm0 -60.4 -11.61 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -31.8 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' B' ' 21' ' ' ILE . 3.9 t80 -56.84 -15.78 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.0 131.87 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -99.22 133.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.89 117.16 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.67 55.52 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.8 -4.32 6.99 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.505 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 70.1 p -78.36 137.71 38.16 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 0.731 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -112.01 125.23 53.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HB2' HG22 ' A' ' 65' ' ' VAL . 31.0 p -103.33 153.61 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.3 mp -118.6 131.77 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.88 138.93 37.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -128.74 -44.37 1.34 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' LYS . 2.6 m-85 -114.86 151.11 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -97.32 109.8 22.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -95.55 -48.51 5.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.8 t-80 86.86 98.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.568 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . -33.36 143.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.466 HG21 ' HD3' ' B' ' 15' ' ' ARG . 5.5 t -118.02 -33.25 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.371 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB3' ' CG ' ' A' ' 27' ' ' ASP . . . -85.71 154.59 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.82 -28.28 67.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.244 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.915 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.64 -13.65 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.646 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 65.5 m-20 -73.29 136.6 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.59 129.05 25.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 150.33 37.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.845 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 3.3 p90 -139.93 162.48 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 143.71 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 147.57 4.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.53 -23.29 19.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.43 141.21 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.56 138.85 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' OD1' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -129.47 153.06 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 m -107.84 135.79 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.677 HD13 ' HE2' ' A' ' 67' ' ' LYS . 7.3 tp -66.43 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 51' ' ' LYS . 97.7 t -113.54 -31.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.796 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.56 154.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.59 155.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -107.91 169.58 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -44.55 -40.22 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 152.97 42.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.659 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.95 -79.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' PRO . 42.8 m-20 -32.98 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.6 m95 -82.43 116.25 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.969 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 64.8 m-85 -133.58 145.35 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -102.03 122.09 43.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.52 169.83 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.64 157.6 30.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.486 ' HB2' HG12 ' A' ' 54' ' ' VAL . 4.4 m120 -95.68 177.31 5.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.88 60.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -84.12 -14.16 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.6 1.57 58.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.09 140.54 52.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -116.99 122.21 43.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -161.01 169.09 36.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.915 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.91 150.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 65' ' ' VAL . 30.7 pt -145.71 131.54 9.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -75.07 120.93 6.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.33 -12.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -13.73 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.375 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 39.8 m-85 -127.48 -0.77 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.4 p -143.29 145.29 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.89 153.69 22.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -104.81 113.84 27.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.45 -25.4 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.2 Cg_endo -74.98 174.25 13.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 150.47 38.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.829 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 156.62 43.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.62 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -49.01 132.95 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.798 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.62 84.66 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.556 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -78.76 139.62 58.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.1 Cg_endo -75.06 -21.08 16.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -11.93 30.69 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.418 1.074 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -62.23 -30.04 70.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.46 ' C ' HD12 ' B' ' 21' ' ' ILE . 4.5 m-85 -57.67 -14.95 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.574 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.8 mp -115.18 130.88 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.796 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.8 t -99.52 124.15 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.449 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.6 m -66.7 128.18 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.9 pt-20 -78.47 56.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.24 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 24' ' ' GLU . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 -115.51 0.52 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -105.53 139.33 40.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.55 120.8 38.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' HG22 ' A' ' 65' ' ' VAL . 25.6 m -99.08 137.27 37.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.972 HD13 HG23 ' A' ' 35' ' ' VAL . 10.7 mm -106.73 130.83 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.32 134.97 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -41.42 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 89.3 m-85 -103.52 174.87 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -112.0 95.8 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' PRO . 19.8 t80 -92.63 109.08 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.01 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.72 151.61 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.479 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -121.37 -35.09 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.93 147.91 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -18.11 39.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -74.28 -23.63 59.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -176.73 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 58' ' ' GLY . 2.8 pp -134.3 128.17 19.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.35 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -142.37 164.34 30.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 50.5 m -123.03 151.58 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -50.38 147.82 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.13 -22.51 31.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.1 m-20 -73.33 140.68 46.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.972 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.65 137.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 3.6 mp -130.77 156.08 45.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.708 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 m -109.05 133.1 53.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.9 mm -66.6 130.57 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.4 t -110.03 -35.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -174.59 160.33 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG22 ' HD1' ' A' ' 48' ' ' TYR . 53.5 t -105.42 161.6 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 41' ' ' VAL . 18.0 p -116.07 172.06 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -10.48 59.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -93.55 154.78 41.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.03 161.62 38.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER 33.65 37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.7 m95 -131.06 117.09 18.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.53 ' HD1' HG22 ' A' ' 41' ' ' VAL . 17.1 m-85 -149.56 143.01 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 24.2 tttt -92.25 122.72 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.26 170.32 15.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.04 157.09 33.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -96.41 175.12 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -10.59 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.95 -13.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.66 3.21 57.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.25 143.72 52.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -123.92 122.21 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.512 ' C ' HD23 ' A' ' 28' ' ' LEU . . . -166.05 171.67 41.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 59' ' ' ILE . 2.7 mp -96.56 148.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.741 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.452 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -145.15 136.5 12.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.06 123.75 8.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.514 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -62.44 -11.95 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -9.27 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 21.1 m-85 -125.91 -7.01 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG23 ' C ' ' A' ' 15' ' ' ILE . 12.1 p -137.76 146.18 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.18 159.66 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -100.44 114.84 28.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.2 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.64 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.23 13.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.66 36.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.88 HD23 ' C ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.93 175.58 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.652 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 151.21 39.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.846 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.9 pm0 -54.14 147.1 13.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.215 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.849 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.3 OUTLIER -98.15 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.492 HG22 ' HG3' ' B' ' 14' ' ' GLU . 3.4 p -68.5 147.08 98.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.83 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.72 -12.57 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.416 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 2.0 t -56.51 -32.07 64.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.52 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.4 m-85 -56.31 -15.81 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.611 ' N ' HD12 ' B' ' 21' ' ' ILE . 3.5 mp -115.21 130.94 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.44 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 93.1 t -98.44 126.13 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.434 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.6 m -67.12 117.73 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.68 55.23 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 p -95.36 139.68 31.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -115.76 135.85 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.234 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 60' ' ' ILE . 3.5 p -120.06 151.34 39.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.782 HG13 HG23 ' A' ' 35' ' ' VAL . 4.4 mp -120.72 134.63 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.93 129.51 34.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -87.76 -42.21 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -114.45 177.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -106.35 72.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 65.1 t80 -80.35 122.18 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -172.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.6 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.59 134.82 13.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -116.74 -28.55 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.52 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.23 -25.57 61.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.81 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.75 -22.16 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.41 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.8 pp -127.76 130.2 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 156.42 42.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 20' ' ' PHE . 2.5 p90 -139.47 173.42 11.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' LYS . 53.9 m -123.22 126.32 46.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -36.09 124.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.34 -11.68 51.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.87 144.57 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.53 137.81 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 60' ' ' ILE . 1.3 mp -130.5 143.55 50.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.546 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -103.17 131.63 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -69.07 130.97 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.824 HG21 ' HD3' ' A' ' 51' ' ' LYS . 44.1 t -113.9 -33.19 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.13 160.96 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' ' 48' ' ' TYR . 28.0 t -104.33 147.76 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.409 HG21 HG21 ' A' ' 59' ' ' ILE . 13.2 p -95.07 171.01 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.1 tptt -45.94 -37.0 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.596 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.2 OUTLIER -93.72 156.49 39.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.655 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 -82.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 45' ' ' PRO . 29.7 m-80 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.801 ' CE3' HG22 ' A' ' 59' ' ' ILE . 8.6 m95 -81.74 119.43 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 85.1 m-85 -137.51 146.45 44.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.063 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.9 tttp -98.41 121.91 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.27 169.87 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.824 ' HD3' HG21 ' A' ' 39' ' ' VAL . 13.9 mtpp -116.49 157.72 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -94.19 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -13.24 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m -85.77 -6.76 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.98 11.84 58.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -78.52 151.55 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -125.85 126.46 44.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -168.83 166.22 39.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 26' ' ' GLN . 2.0 mp -94.93 147.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 65' ' ' VAL . 5.9 pt -141.01 142.64 28.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.5 Cg_endo -74.98 124.87 8.95 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -65.57 -25.36 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -71.68 -2.54 17.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -118.1 -2.35 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -144.0 175.08 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -125.05 135.69 52.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.535 ' NZ ' ' CD2' ' A' ' 48' ' ' TYR . 1.5 ttmt -95.53 110.54 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 149.97 37.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.837 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.99 175.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 155.72 43.07 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.68 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -50.8 135.42 23.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.808 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.33 94.06 8.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.596 HG21 ' OD1' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -87.13 141.68 33.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.13 20.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 4.1 mm-40 -61.88 -13.06 21.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -57.09 -28.14 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.44 -12.94 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.66 132.15 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 48.8 t -104.14 124.52 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.87 129.06 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 14.9 pt-20 -78.46 56.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.1 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.445 ' OG1' ' CG1' ' A' ' 38' ' ' ILE . 5.3 p -78.98 139.32 38.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 35' ' ' VAL . 12.4 tt0 -104.19 120.55 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 38' ' ' ILE . 14.1 m -97.71 142.77 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 108.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.938 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -114.1 133.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.4 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -118.88 -39.37 2.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.452 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 31.4 m-85 -104.57 174.68 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -125.11 63.96 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.711 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -86.25 134.33 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.565 ' O ' ' CZ ' ' A' ' 20' ' ' PHE . 9.9 m-70 -72.48 -173.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.2 141.02 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.67 HG21 HD11 ' B' ' 12' ' ' LEU . 12.2 t -117.14 -32.69 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.23 147.79 48.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -16.72 50.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.776 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm100 -94.98 -21.73 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.61 145.73 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.707 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.5 pp -116.04 119.76 36.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.37 30.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 6.9 p90 -139.3 175.56 9.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -122.69 149.58 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.35 138.98 20.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.34 -19.7 52.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.418 1.074 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.3 m-20 -74.21 139.32 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.938 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.21 137.33 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 28' ' ' LEU . 4.6 mp -130.3 157.75 41.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.5 m -113.32 136.44 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.578 HD11 ' SG ' ' A' ' 14' ' ' CYS . 28.6 mm -65.68 131.39 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.203 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.9 t -112.18 -33.72 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -173.53 152.06 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG13 ' HD1' ' A' ' 48' ' ' TYR . 9.8 t -99.64 150.14 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 p -99.05 172.15 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.47 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.43 146.04 31.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.593 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.4 Cg_endo -74.97 156.54 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.43 1.752 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.799 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 9.1 t30 75.09 -33.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.828 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.25 118.16 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 14.5 m-85 -145.31 139.11 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.9 ttpt -93.16 121.73 34.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.493 1.121 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.55 168.82 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.05 157.13 27.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 22.5 p30 -101.65 179.76 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -10.0 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.1 t -83.56 -13.49 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.07 -5.86 68.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -69.92 149.65 47.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.6 126.56 44.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.707 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -157.46 171.29 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.828 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.2 mp -97.42 145.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' LEU . 32.2 pt -146.13 131.23 9.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.06 130.12 12.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.799 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -61.04 -12.85 13.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.39 -14.47 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.711 ' CE2' ' CG ' ' A' ' 20' ' ' PHE . 21.4 m-85 -126.06 -1.62 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.7 p -143.77 145.56 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -110.3 155.92 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 110.48 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -74.95 151.38 39.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.69 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.05 174.26 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 157.0 42.92 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.568 1.825 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.559 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.0 OUTLIER -65.93 122.59 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.203 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.84 82.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.559 HG22 ' HG3' ' B' ' 14' ' ' GLU . 15.5 p -66.59 147.38 99.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.462 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -74.95 -16.79 20.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.72 -13.2 20.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -56.74 -32.14 65.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.458 ' C ' HD12 ' B' ' 21' ' ' ILE . 9.3 m-85 -55.59 -16.91 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.577 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.7 mp -114.01 130.87 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 90.4 t -100.62 121.9 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.71 116.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.2 pt-20 -78.62 54.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 p -67.49 138.23 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 128.81 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.74 ' HB2' HG22 ' A' ' 65' ' ' VAL . 14.6 p -101.53 151.49 21.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.754 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -114.4 133.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.942 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -81.55 132.12 35.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 -42.19 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 18.9 m-85 -108.17 137.96 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -87.96 115.44 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 22.7 t80 -124.66 131.68 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.488 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -68.57 178.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.66 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 141.94 19.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 t -118.63 -31.15 4.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.776 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.5 148.05 52.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.43 -33.24 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.868 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.5 mt-30 -76.89 -22.04 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.7 158.32 25.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.685 ' HG ' HG23 ' A' ' 60' ' ' ILE . 1.9 pp -129.23 145.63 57.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 141.57 26.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.942 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.99 142.38 45.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.8 p -124.07 110.1 14.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -35.71 134.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.95 -26.35 24.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.63 148.49 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.33 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 18.3 mt -124.16 158.47 32.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.69 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -116.56 132.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.18 125.11 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 40.7 t -107.57 -35.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -172.2 159.4 4.82 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 t -103.58 152.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 p -104.62 171.28 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -39.0 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.1 OUTLIER -92.77 151.51 40.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' PRO . 3.8 m120 -33.15 -36.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.643 1.215 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.819 ' CE3' HG22 ' A' ' 59' ' ' ILE . 10.3 m95 -80.57 125.6 30.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 79.7 m-85 -141.86 144.97 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 6.0 tttm -103.29 122.43 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -137.53 169.5 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 43.3 pttt -126.3 148.96 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.789 ' ND2' HD21 ' A' ' 36' ' ' LEU . 1.2 m120 -86.42 176.0 8.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -71.22 -8.96 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG22 ' CE ' ' A' ' 53' ' ' LYS . 19.9 t -82.49 -14.4 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.13 58.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.7 mpt_? -69.42 136.83 52.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 0.728 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.25 123.68 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -160.7 167.82 35.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.7 mp -95.95 143.2 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 65' ' ' VAL . 1.7 pp -141.86 137.63 16.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.01 129.61 12.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -63.04 -11.67 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -62.14 -11.6 15.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.9 m-85 -128.57 -0.29 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.754 HG23 ' C ' ' A' ' 15' ' ' ILE . 9.8 p -144.21 145.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -127.08 142.58 51.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.3 ttpt -72.19 114.93 10.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.28 37.77 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.867 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.52 174.86 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 151.45 39.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.522 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -51.28 123.99 10.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.455 HH21 ' CB ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -73.18 91.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.522 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.5 p -76.44 143.75 73.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.07 -18.4 18.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -62.75 -13.39 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.455 ' CB ' HH21 ' B' ' 15' ' ' ARG . 70.5 m -58.71 -30.3 67.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.36 -15.64 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.418 HD12 ' N ' ' B' ' 21' ' ' ILE . 4.2 mp -114.4 130.98 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 40' ' ' ALA . 86.3 t -109.36 124.41 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.401 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -66.79 117.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.1 pt-20 -78.61 56.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -79.43 134.02 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.4 tt0 -108.54 127.45 53.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.94 147.76 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.776 HD13 HG23 ' A' ' 35' ' ' VAL . 14.0 mm -116.27 128.45 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.672 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.68 136.6 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.58 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -116.43 -41.29 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.58 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 68.2 m-85 -110.13 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -116.72 76.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -91.75 120.87 32.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.563 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 31.3 m170 -59.37 175.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.565 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -77.41 146.3 31.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -115.57 -33.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.09 152.92 46.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.41 -36.38 66.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.215 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.805 ' O ' HD12 ' A' ' 59' ' ' ILE . 37.7 mt-30 -77.79 -21.35 51.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -79.67 135.69 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -114.19 120.41 38.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.96 141.41 26.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.672 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 18.2 p90 -132.33 159.17 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LYS . 80.7 m -108.64 136.28 48.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.52 145.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.41 35.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -74.27 147.6 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.42 134.74 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.829 HD22 HD13 ' A' ' 60' ' ' ILE . 3.6 mp -130.92 121.67 25.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.53 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 m -88.88 135.83 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 50' ' ' ALA . 39.9 mm -65.46 129.31 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 55.0 t -104.11 -35.41 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -169.19 146.81 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.03 155.92 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 44' ' ' ASP . 1.7 p -118.73 173.97 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.95 5.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.99 161.5 38.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.586 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.98 -90.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 95.2 m-20 -86.64 41.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.772 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.1 m95 -131.22 115.84 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.9 m-85 -143.87 152.32 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -96.6 122.1 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.63 170.04 14.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.5 pttm -120.42 157.71 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.02 176.75 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -11.28 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.97 -14.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.58 2.68 57.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -69.96 151.12 45.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.78 134.87 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.537 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -177.4 170.75 43.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -96.62 146.75 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.829 HD13 HD22 ' A' ' 36' ' ' LEU . 28.8 pt -138.72 136.21 18.5 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.371 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.7 Cg_endo -74.96 116.35 4.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -55.38 -16.45 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -12.83 13.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 58.5 m-85 -128.47 0.75 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 62' ' ' ALA . 2.2 p -143.16 145.67 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -114.53 153.99 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -100.34 114.7 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 150.36 38.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.831 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.92 176.06 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 157.23 42.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -57.56 153.0 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.237 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.16 87.39 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.8 p -72.3 136.96 81.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.87 14.38 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.21 -11.66 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 5.2 t -57.07 -25.55 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -10.82 14.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.53 131.61 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 38.8 t -111.62 124.32 68.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.67 117.94 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.0 pt-20 -78.64 55.48 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 p -80.96 134.47 35.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.81 126.27 45.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 136.09 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -106.57 130.77 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.49 124.94 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -107.01 -43.49 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 17.5 m-85 -113.64 133.27 55.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.09 93.81 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.372 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 30.4 t80 -93.65 135.47 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 178.24 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 125.42 25.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 20' ' ' PHE . 5.2 t -115.88 -14.05 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.71 25.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -56.34 -28.21 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.736 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.94 -20.79 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.11 136.75 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.752 HD12 ' C ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.37 121.94 32.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.76 23.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.2 p90 -118.73 178.1 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 4.7 m -116.18 121.21 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -44.17 138.25 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.77 -27.3 21.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 56.6 p30 -77.59 147.58 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.55 138.27 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.22 168.75 16.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 6.5 m -111.88 135.56 52.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.937 HD13 ' HB2' ' A' ' 50' ' ' ALA . 27.1 mm -73.23 137.83 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.4 t -104.73 -33.62 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.067 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.04 161.96 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.775 HG13 ' CD1' ' A' ' 48' ' ' TYR . 59.8 t -102.82 155.34 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 34.6 p -99.71 172.51 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -73.85 -20.53 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 14' ' ' GLU . 0.9 OUTLIER -91.93 153.13 43.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 170.03 21.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER 38.36 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 7.6 m95 -133.67 123.2 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.956 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.775 ' CD1' HG13 ' A' ' 41' ' ' VAL . 16.1 m-85 -152.32 140.73 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.5 ttpp -92.31 122.42 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.374 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.79 169.66 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.16 156.85 31.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 3.9 p30 -98.74 176.63 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -9.31 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -82.35 -13.53 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.72 -4.58 69.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -70.36 143.28 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -117.39 124.94 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.45 172.37 36.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.582 1.176 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -96.44 150.33 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.006 HD12 HG11 ' A' ' 65' ' ' VAL . 5.8 pt -146.29 132.54 9.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 122.86 7.5 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -58.71 -16.1 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.64 -11.74 18.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 72.4 m-85 -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 60' ' ' ILE . 2.5 p -144.75 145.01 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.65 152.43 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -99.48 114.56 27.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.08 149.75 36.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.897 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 149.43 36.7 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 4.4 pt-20 -54.56 127.74 29.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 79.4 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.46 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 69.1 p -64.8 145.89 98.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.462 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.55 21.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 57.2 mm-40 -60.54 -13.44 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 p -56.04 -34.07 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.001 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.538 ' C ' HD12 ' B' ' 21' ' ' ILE . 25.2 m-85 -54.51 -17.95 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 111.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.645 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -115.15 130.53 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.439 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 46.1 t -96.19 126.44 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 2.5 m -66.72 119.92 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.1 pt-20 -78.73 56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -67.07 138.97 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 3.3 pt-20 -128.46 140.39 51.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.784 ' HB3' HG22 ' A' ' 65' ' ' VAL . 20.3 m -98.29 151.34 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 35' ' ' VAL . 14.9 mm -115.96 133.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 135.17 36.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -40.84 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 43.3 m-85 -103.16 150.6 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 91.92 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.724 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 13.6 t80 -92.34 127.9 37.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -67.81 -62.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.67 155.2 7.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.499 HG21 HD11 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -118.96 -35.94 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.368 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . . . -148.54 157.12 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.41 -6.08 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 5.0 mt-30 -86.43 -21.02 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 16.9 p30 -79.58 176.74 9.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 28' ' ' LEU . 11.8 mt -126.69 99.34 29.84 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.08 17.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 36' ' ' LEU . 5.5 p90 -140.75 -174.28 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' LYS . 3.6 m -118.18 134.83 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.61 125.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.0 -8.1 35.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -75.55 150.76 38.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.0 137.71 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 60' ' ' ILE . 1.7 mp -131.04 149.48 52.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.224 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.657 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m -106.83 135.25 48.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' SG ' ' A' ' 14' ' ' CYS . 25.3 mm -66.59 129.34 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 51.9 t -113.01 -35.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . . . -175.19 151.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -94.77 159.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 p -111.48 167.5 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.13 -40.71 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.338 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.75 153.93 41.03 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.708 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.03 -82.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.569 ' C ' ' O ' ' A' ' 45' ' ' PRO . 17.3 m-20 -27.2 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.803 ' CE3' HG22 ' A' ' 59' ' ' ILE . 6.7 m95 -80.1 123.3 27.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.708 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 67.2 m-85 -141.2 146.22 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.924 ' HE2' ' HB3' ' A' ' 40' ' ' ALA . 4.2 ttpt -103.05 122.92 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -139.08 171.18 14.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -113.87 157.77 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 36' ' ' LEU . 4.6 m-20 -98.22 177.52 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -10.75 60.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 22.3 m -84.21 -14.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.93 -0.04 57.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 151.4 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.96 124.82 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -162.41 -164.03 16.49 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -109.2 151.52 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.042 HD12 HG11 ' A' ' 65' ' ' VAL . 5.3 pt -146.63 129.03 7.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.1 122.61 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -59.71 -13.34 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -58.2 -16.23 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.5 m-85 -127.03 -1.62 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 60' ' ' ILE . 7.7 p -144.8 145.89 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -121.32 155.49 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.23 110.96 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.974 0 N-CA-C 111.022 -0.414 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 150.22 37.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.851 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.32 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 152.04 40.2 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.6 pt-20 -52.05 117.29 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -70.93 87.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.294 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.48 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.3 p -68.21 144.72 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.6 Cg_endo -74.95 -20.7 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.74 -13.41 32.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -56.87 -28.59 62.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.62 ' HB3' HD12 ' B' ' 21' ' ' ILE . 20.3 t80 -59.56 -14.11 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.38 131.63 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.836 HG11 ' HB1' ' A' ' 40' ' ' ALA . 76.9 t -110.21 132.52 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -69.75 117.76 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.5 pt-20 -78.64 55.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 24' ' ' GLU . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -104.56 138.2 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.67 112.33 24.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.652 ' HB3' HG22 ' A' ' 65' ' ' VAL . 8.2 m -102.6 147.98 26.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.766 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -116.13 139.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.29 120.57 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -96.4 -45.98 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 9.3 m-85 -109.23 139.32 44.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -74.95 88.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 12.9 t80 -90.68 129.94 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -93.26 153.53 18.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.57 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -40.31 124.9 2.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 ' CG ' ' A' ' 27' ' ' ASP . 14.5 t -112.52 -26.07 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.475 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.46 152.34 39.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -34.29 59.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -86.4 -20.71 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' A' ' 23' ' ' THR . 25.8 t0 -54.46 169.76 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -133.6 100.0 13.89 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -75.04 133.8 16.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 25.9 p90 -139.67 179.79 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.31 131.94 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 144.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.79 -21.83 39.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.3 147.87 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 0.808 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.6 137.16 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.52 154.01 49.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.4 m -111.46 134.44 53.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.384 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 50' ' ' ALA . 9.3 mm -66.58 138.02 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 51' ' ' LYS . 60.2 t -113.0 -33.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.98 160.83 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 42' ' ' THR . 88.8 t -101.92 167.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 41' ' ' VAL . 29.4 p -120.42 168.27 11.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.72 -36.21 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -92.34 147.67 34.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.694 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.04 -79.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 m120 -33.54 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 59' ' ' ILE . 9.5 m95 -84.69 127.05 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 108.058 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.694 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 90.0 m-85 -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.2 tttt -100.74 122.22 42.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.977 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -138.39 170.36 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HB3' HG21 ' A' ' 39' ' ' VAL . 10.7 ptmt -114.75 155.67 26.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 5.6 p-10 -97.04 179.32 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.3 tmtm? -69.42 -11.06 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.18 -9.53 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.26 83.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 34.3 ttt180 -70.13 147.58 49.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -115.98 122.65 45.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.605 ' HA3' HD23 ' A' ' 28' ' ' LEU . . . -155.77 171.49 33.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -97.29 146.02 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.756 HD13 HG11 ' A' ' 65' ' ' VAL . 2.2 pp -146.56 131.72 9.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.01 126.68 10.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.44 -14.25 4.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.78 -7.56 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.619 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 57.2 m-85 -127.75 -1.22 6.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 15' ' ' ILE . 15.0 p -144.12 146.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -122.45 155.44 36.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.09 110.66 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.738 ' CG ' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.99 150.39 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.86 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.4 175.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.07 155.82 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.641 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.5 OUTLIER -49.94 130.66 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.86 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -81.59 89.82 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.592 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.0 OUTLIER -82.54 137.89 44.61 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.06 -22.39 14.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -64.31 -11.62 33.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 1.2 t -63.0 -27.75 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.516 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -59.44 -13.41 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -114.06 131.2 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.567 HG11 ' HB1' ' A' ' 40' ' ' ALA . 80.7 t -104.06 133.15 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.35 123.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.1 pt-20 -78.2 55.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -98.38 139.39 34.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 0.785 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 118.46 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HB3' HG22 ' A' ' 65' ' ' VAL . 10.5 m -98.29 140.89 31.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 108.352 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 HG23 ' A' ' 35' ' ' VAL . 8.3 mm -106.26 135.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.6 125.81 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.612 ' CE ' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -110.56 -42.99 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.612 ' CE1' ' CE ' ' A' ' 17' ' ' LYS . 7.2 m-30 -97.07 -175.27 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -119.98 72.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.635 1.21 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.7 t80 -83.3 115.74 22.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -89.24 41.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.629 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 59.69 145.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -110.75 -33.25 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.48 153.19 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.97 -24.86 59.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 tp60 -78.22 -20.57 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -77.79 -171.32 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.633 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -133.19 101.37 13.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 60' ' ' ILE . 10.1 p90 -141.06 173.27 11.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -115.28 146.98 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 141.6 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.81 -17.59 52.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.02 144.81 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.889 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.43 138.34 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.6 HD23 ' OD1' ' A' ' 52' ' ' ASN . 3.7 mp -130.09 157.67 41.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.0 m -116.12 131.39 56.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.078 HD13 ' HB2' ' A' ' 50' ' ' ALA . 34.3 mm -70.76 132.31 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.95 -31.7 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -168.58 156.21 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -99.37 160.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -111.0 169.76 8.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -37.3 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.08 153.06 43.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.654 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.91 -81.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 29.5 m-20 -33.04 -35.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.87 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.8 m95 -80.73 119.45 23.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.048 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 70.8 m-85 -136.63 141.85 43.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -94.15 121.89 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.078 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -135.48 171.46 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -125.2 157.82 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.633 ' OD1' HD13 ' A' ' 28' ' ' LEU . 2.8 m120 -96.5 177.42 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -10.91 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.86 -12.45 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.73 3.72 60.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.17 141.75 52.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -118.46 120.07 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -160.67 171.93 36.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.87 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.8 mp -95.41 144.75 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 4.4 tt -136.97 129.91 17.33 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.51 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 121.54 6.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.08 -16.65 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -63.0 -10.31 13.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 51.9 m-85 -125.88 -4.72 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.668 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.4 p -144.76 146.22 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -111.05 157.2 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 113.69 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.389 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -75.02 150.4 38.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.867 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.43 175.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.93 155.13 43.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.694 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.4 OUTLIER -50.32 135.66 21.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.867 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -86.57 74.58 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.55 HG22 ' HG3' ' B' ' 14' ' ' GLU . 6.9 p -72.03 140.89 83.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -75.0 -19.88 17.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -13.19 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.72 -26.14 66.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.6 -11.65 12.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -113.82 132.04 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.432 HG11 ' HB1' ' A' ' 40' ' ' ALA . 71.9 t -101.08 128.96 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.423 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.5 m -66.74 129.48 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.5 pt-20 -78.4 55.92 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 28.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -84.8 136.55 33.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 0.821 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -106.96 124.02 49.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HB2' HG22 ' A' ' 65' ' ' VAL . 29.5 p -107.77 141.39 39.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.985 HD13 HG23 ' A' ' 35' ' ' VAL . 3.7 mm -111.07 128.39 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.398 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -82.87 128.7 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HE2' ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.72 -36.76 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 17' ' ' LYS . 60.0 m-85 -89.91 162.99 15.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -103.19 81.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 16.8 t80 -97.77 120.53 38.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' GLY . 78.3 m-70 -89.23 37.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 55.4 163.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -117.65 -34.75 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -20.91 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -77.02 -21.11 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.523 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.87 -170.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.847 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -132.47 99.89 15.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.78 13.61 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.8 p90 -140.38 -179.98 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -118.49 131.31 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' CYS . 15.9 pttp -39.69 128.74 2.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.12 -13.25 52.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -75.46 151.91 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.985 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD23 ' OD1' ' A' ' 52' ' ' ASN . 1.1 mp -131.76 151.82 51.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.439 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -113.46 131.23 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.941 HD13 ' HB2' ' A' ' 50' ' ' ALA . 28.4 mm -67.79 133.51 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.0 t -110.85 -30.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.8 154.21 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.231 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.5 158.39 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -109.4 167.06 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -35.78 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.722 ' OD1' HG21 ' B' ' 16' ' ' THR . 1.1 m-20 -92.61 151.85 41.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -82.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 3.1 m120 -32.99 -35.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.815 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -81.92 119.39 23.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 58.7 m-85 -135.56 144.33 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.66 122.51 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.941 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -137.3 169.95 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 3.4 pttt -119.27 157.86 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.847 ' OD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-20 -95.2 176.98 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -10.91 60.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.2 -13.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.74 1.72 60.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.96 118.77 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -157.78 168.44 34.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.589 1.18 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.815 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -95.56 146.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.93 HD12 HG11 ' A' ' 65' ' ' VAL . 1.3 pt -144.82 129.97 9.32 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.586 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 127.74 10.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.04 -15.76 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -13.25 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 11.0 m-85 -121.49 -9.08 9.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.81 145.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -103.04 153.8 19.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 115.79 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.91 150.36 38.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.871 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.05 174.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 153.47 42.02 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.501 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -50.54 120.72 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 89.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.722 HG21 ' OD1' ' A' ' 44' ' ' ASP . 4.2 p -75.81 136.99 69.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.47 11.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -66.02 -9.38 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -66.08 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 26' ' ' GLN . 2.7 m-85 -59.78 -13.87 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.544 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -114.68 131.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 40' ' ' ALA . 75.9 t -102.32 132.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.9 m -66.79 117.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.8 pt-20 -78.67 55.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -102.98 139.37 38.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.7 111.79 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -96.69 142.25 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 35' ' ' VAL . 13.5 mm -114.8 130.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.751 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.55 136.89 36.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 -42.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 54.0 m-85 -109.53 155.33 21.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -96.42 82.65 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 20.1 t80 -78.34 119.24 21.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.13 -55.83 29.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.57 157.37 7.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -125.53 -36.75 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.68 157.63 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.21 -22.63 65.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.994 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -83.19 -13.18 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -76.45 150.93 36.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.5 pp -123.6 109.08 30.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.58 34.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 5.7 p90 -138.94 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.8 132.33 55.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.9 140.19 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.78 -20.18 51.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.51 151.38 37.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.63 137.77 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -130.73 153.13 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.14 125.78 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 50' ' ' ALA . 39.1 mm -67.38 134.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.1 t -112.92 -29.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -166.45 159.04 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 42' ' ' THR . 74.7 t -106.27 167.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 41' ' ' VAL . 18.3 p -115.43 172.09 7.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -72.99 -11.01 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.6 m-20 -91.98 166.53 17.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.03 -81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.567 ' CG ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 m-20 -75.52 52.51 0.64 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 23.6 m95 -142.71 119.59 11.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 28.1 m-85 -150.99 140.16 21.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 22.2 tttp -94.11 122.0 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.926 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -132.71 169.65 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -121.0 157.3 30.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 11.8 p30 -100.84 179.43 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -9.85 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.7 t -82.91 -13.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.47 -3.91 69.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -70.36 145.75 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -123.85 126.33 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.66 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.21 174.77 36.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.994 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -96.45 150.53 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 HG11 ' A' ' 65' ' ' VAL . 14.3 pt -145.03 133.16 10.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.93 124.02 8.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.567 ' HB3' ' CG ' ' A' ' 46' ' ' ASN . . . -56.17 -17.73 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.62 -12.54 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 26.3 m-85 -126.39 -2.73 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 60' ' ' ILE . 2.6 p -144.16 146.22 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.45 152.93 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.91 111.99 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.66 38.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.815 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.76 174.7 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.6 Cg_endo -74.94 151.01 39.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.547 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.7 pt-20 -53.78 122.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.4 88.39 3.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.603 HG23 ' OD2' ' A' ' 44' ' ' ASP . 42.9 p -76.78 146.92 77.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -74.99 -18.25 18.91 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.819 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 1.1 mp0 -62.53 -12.93 25.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -57.24 -30.41 64.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -57.41 -15.33 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.461 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -113.79 131.3 66.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 69.3 t -94.52 133.06 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.7 m -77.22 128.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 7.9 pt-20 -78.44 55.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 p -105.12 131.42 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -110.63 126.23 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 25.5 m -104.07 148.95 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.814 HD13 HG23 ' A' ' 35' ' ' VAL . 10.5 mm -113.13 130.28 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.66 135.5 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.68 -43.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.6 m-85 -88.34 127.66 35.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -77.31 108.25 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.3 t80 -118.94 139.23 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -101.22 29.9 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.655 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . 65.52 141.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.605 HG21 HD11 ' B' ' 12' ' ' LEU . 7.4 t -120.22 -32.39 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.08 144.54 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.94 -27.61 61.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.832 ' O ' HD12 ' A' ' 59' ' ' ILE . 14.8 mt-30 -81.66 -21.25 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.04 153.71 32.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.926 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -122.18 117.15 29.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.93 144.62 30.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.931 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 15.1 p90 -139.66 174.16 10.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' LYS . 7.6 m -113.71 127.78 56.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.245 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' CYS . 11.8 pttt -37.26 126.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.03 -14.44 28.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 151.6 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.814 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.01 137.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.71 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -131.72 130.84 42.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 9.3 m -93.62 131.53 38.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.16 130.76 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.834 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.8 t -113.34 -33.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' CE ' ' A' ' 49' ' ' LYS . . . -169.32 159.85 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 48' ' ' TYR . 94.4 t -104.26 158.13 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 p -102.47 172.3 6.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -43.61 -38.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.76 155.09 39.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.653 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.84 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' PRO . 5.1 m120 -31.48 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.791 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.8 m95 -82.55 120.22 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 72.0 m-85 -136.76 144.1 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.726 ' CE ' ' HB3' ' A' ' 40' ' ' ALA . 19.9 ttpt -98.72 121.95 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.74 170.16 15.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' VAL . 11.8 mtpp -116.44 156.01 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' OD1' HD22 ' A' ' 28' ' ' LEU . 15.7 m120 -95.16 171.5 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -11.54 60.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.7 t -84.75 -12.66 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.97 52.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER -84.2 150.5 25.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.49 125.31 49.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.361 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.862 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -162.71 166.08 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.6 mp -96.28 150.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.869 HD12 HG11 ' A' ' 65' ' ' VAL . 6.7 pt -144.11 136.28 13.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.93 127.42 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.65 -23.05 66.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -71.56 -0.52 10.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 18' ' ' TYR . 4.1 m-85 -121.09 -8.15 9.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.869 HG11 HD12 ' A' ' 60' ' ' ILE . 1.7 m -143.95 168.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.526 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -135.86 136.45 40.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 111.44 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.6 Cg_endo -74.9 151.23 39.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.693 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.7 175.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 155.76 42.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.757 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.3 OUTLIER -51.58 140.06 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.757 HH21 ' HA ' ' B' ' 14' ' ' GLU . 0.3 OUTLIER -91.79 88.28 6.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.594 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -81.23 142.28 50.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.368 1.042 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 17.9 Cg_endo -75.08 -18.62 18.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -63.02 -12.14 23.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD12 ' B' ' 21' ' ' ILE . 27.6 t80 -60.75 -12.67 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.33 132.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.595 HG11 ' HB1' ' A' ' 40' ' ' ALA . 96.5 t -103.97 124.69 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.5 128.51 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 25' ' ' GLU . 6.6 pt-20 -78.48 56.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.3 tm-20 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA3' ' CG2' ' A' ' 37' ' ' THR . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' THR . 80.8 p -65.35 138.13 57.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -80.81 114.59 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -100.34 135.51 41.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 HG23 ' A' ' 35' ' ' VAL . 2.1 mm -106.93 128.76 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 139.23 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -44.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 20.2 m-85 -111.4 132.9 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -79.84 102.15 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.648 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 39.8 t80 -106.09 126.46 52.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 32.6 t-80 -71.06 167.92 18.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.643 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG ' ' A' ' 21' ' ' HIS . . . -72.33 139.47 28.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.653 1.221 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.447 HG21 HD11 ' B' ' 12' ' ' LEU . 8.7 t -116.84 -31.78 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.11 50.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -55.29 -36.98 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' ILE . 4.3 mt-30 -77.01 -20.46 55.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -78.57 141.19 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.03 119.84 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.54 23.07 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.778 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -136.9 149.85 47.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -96.35 146.52 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 149.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.7 -26.67 11.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.01 140.34 54.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 35' ' ' VAL . 4.6 mp -131.88 143.19 49.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.729 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 46.7 m -97.98 136.66 37.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.27 135.01 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.9 t -115.15 -35.68 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.6 161.42 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 42' ' ' THR . 84.8 t -102.46 168.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.545 ' N ' HG12 ' A' ' 41' ' ' VAL . 11.8 p -124.31 172.32 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE3' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -75.11 -15.25 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -91.86 151.38 42.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 163.4 35.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER 37.92 31.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.761 ' CE3' HG22 ' A' ' 59' ' ' ILE . 12.4 m95 -126.64 121.08 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 24.1 m-85 -150.66 139.86 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.8 tttm -91.9 122.08 34.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.7 170.06 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -122.72 157.33 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' CB ' HG22 ' A' ' 54' ' ' VAL . 33.9 m-80 -97.58 176.93 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 56' ' ' ARG . 5.0 m -83.85 -13.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.44 1.49 59.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.31 149.76 47.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -129.6 132.96 46.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -171.2 174.19 44.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -98.97 146.31 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.709 HD13 HG11 ' A' ' 65' ' ' VAL . 1.9 pp -145.38 134.76 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.0 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.756 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -62.54 -12.0 19.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -11.94 14.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.648 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 58.4 m-85 -126.9 -0.62 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.6 p -142.89 146.08 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 154.78 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -100.4 116.9 33.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.0 Cg_endo -74.98 150.67 38.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.778 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.94 175.44 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.65 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.08 151.02 38.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.5 pt-20 -53.94 145.07 17.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.432 ' NH2' ' OG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -95.38 89.97 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.475 HG23 ' OD2' ' A' ' 44' ' ' ASP . 1.3 p -73.99 147.38 86.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.454 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.94 -21.28 16.15 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.513 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.65 -12.24 32.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.432 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 15.8 p -59.18 -30.19 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' B' ' 21' ' ' ILE . 4.7 t80 -56.24 -16.12 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -111.01 130.93 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.437 HG11 ' HB1' ' A' ' 40' ' ' ALA . 28.3 t -105.95 120.8 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 43' ' ' LYS . 1.1 m -66.61 129.44 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.9 pt-20 -78.19 56.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.4 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.208 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -89.92 139.46 30.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.455 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.85 127.6 44.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.212 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.3 m -100.59 156.38 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 10.4 mm -119.24 133.59 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.78 126.74 31.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 -44.39 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 22.2 m-85 -106.35 134.31 49.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -74.32 79.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.613 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 6.1 t80 -77.6 108.98 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.94 -47.61 80.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.15 149.48 5.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 -34.17 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -132.44 144.34 50.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.13 -13.61 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.776 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.83 -15.1 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -62.98 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -134.75 98.38 13.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -140.77 177.55 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.9 m -122.99 137.3 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 108.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.68 138.36 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.29 -21.23 46.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.62 147.88 39.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.34 136.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.57 157.43 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.489 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -108.34 128.59 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.911 HD11 ' HB3' ' A' ' 48' ' ' TYR . 4.5 tp -68.46 138.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -109.15 -35.83 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.221 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.37 161.8 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.651 HG22 ' HD1' ' A' ' 48' ' ' TYR . 96.9 t -95.26 163.57 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' HG12 ' A' ' 41' ' ' VAL . 41.3 p -110.63 173.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.4 mptp? -60.53 -24.16 65.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.522 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -91.18 158.27 41.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.636 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.04 -66.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -75.87 42.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.671 ' CE3' HG22 ' A' ' 59' ' ' ILE . 30.2 m95 -144.93 127.98 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.911 ' HB3' HD11 ' A' ' 38' ' ' ILE . 80.5 m-85 -153.56 138.84 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.6 tttt -92.33 120.87 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.993 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.04 170.39 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.6 ptmm? -123.26 157.17 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.5 175.83 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -11.68 60.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 13.8 m -84.45 -10.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.64 59.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.45 150.87 45.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.86 125.46 30.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -166.24 171.62 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.564 1.165 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -95.89 144.75 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.638 ' CD1' HG11 ' A' ' 65' ' ' VAL . 14.7 pt -139.83 138.65 20.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.01 125.93 9.64 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.97 -19.55 44.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.91 -4.5 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.613 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 60.4 m-85 -127.2 -3.85 6.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 60' ' ' ILE . 14.4 p -144.44 147.1 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -117.73 156.89 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.37 116.62 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.249 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 150.04 37.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.897 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 148.48 35.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.7 pt-20 -51.19 117.36 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.693 HH12 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -67.85 95.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.438 ' H ' HG23 ' B' ' 16' ' ' THR . 1.3 p -78.9 145.42 65.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -75.03 -13.29 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -61.46 -12.86 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -30.66 62.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.5 OUTLIER -58.07 -14.99 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.29 132.09 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 43.3 t -93.46 124.16 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.79 117.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.53 55.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.0 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.408 HG21 ' HZ3' ' A' ' 67' ' ' LYS . 72.4 p -84.08 139.18 32.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 135.98 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.544 ' O ' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.26 139.15 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 108.344 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 15' ' ' ILE . 3.7 mp -109.11 129.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.09 136.3 36.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -43.1 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 25.3 m-85 -111.39 128.72 56.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -82.55 98.78 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -114.63 119.23 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 179.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.52 145.5 21.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.444 HG21 HD11 ' B' ' 12' ' ' LEU . 9.1 t -117.08 -34.45 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' A' ' 27' ' ' ASP . . . -120.69 148.64 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.64 -30.71 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 59' ' ' ILE . 29.0 mt-30 -81.08 -22.01 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 5.8 m-20 -79.62 149.34 31.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.4 pp -126.84 124.75 24.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.04 29.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 17.2 p90 -134.67 166.33 23.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.4 m -112.2 127.51 55.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.71 145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.1 -25.37 25.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 38.1 m-20 -75.58 134.86 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.97 136.29 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.13 175.2 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.48 131.37 56.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' HB2' ' A' ' 50' ' ' ALA . 33.2 mm -68.01 137.85 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.656 HG21 ' CD ' ' A' ' 51' ' ' LYS . 35.7 t -105.86 -33.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.81 162.5 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 48' ' ' TYR . 20.2 t -102.66 162.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 48' ' ' TYR . 24.1 p -106.26 172.5 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.7 OUTLIER -63.89 -35.42 80.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.07 146.98 32.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.07 163.09 35.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 12.7 t30 66.54 3.8 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.8 m95 -122.46 116.61 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.727 ' CD1' HG22 ' A' ' 41' ' ' VAL . 20.0 m-85 -147.58 143.67 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 30.8 ttpt -93.24 120.61 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.847 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -133.42 169.58 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.656 ' CD ' HG21 ' A' ' 39' ' ' VAL . 11.3 mtpp -120.66 154.37 35.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' CB ' HG22 ' A' ' 54' ' ' VAL . 7.7 m-20 -92.91 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -11.48 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 52' ' ' ASN . 29.8 m -84.19 -10.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.06 21.15 31.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.525 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.95 153.88 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.01 128.08 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.746 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -174.79 167.79 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -94.84 149.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 28' ' ' LEU . 39.1 pt -145.54 134.68 11.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.594 ' HA ' ' O ' ' A' ' 46' ' ' ASN . 18.3 Cg_endo -75.03 121.62 6.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.793 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -54.27 -14.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -58.89 -15.46 12.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 57.4 m-85 -128.3 0.35 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG13 ' HA ' ' A' ' 62' ' ' ALA . 3.2 p -143.46 146.18 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.9 156.24 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HZ3' HG21 ' A' ' 12' ' ' THR . 11.5 ttpp -107.55 119.52 39.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.071 -0.396 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 149.82 37.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.898 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.31 175.46 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.16 152.0 39.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' B' ' 16' ' ' THR . 0.8 OUTLIER -54.13 135.46 43.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 82.88 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.463 HG22 ' HG3' ' B' ' 14' ' ' GLU . 11.9 p -67.01 141.42 96.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.466 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 6.2 mm-40 -61.38 -13.08 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -56.51 -30.69 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.515 ' HB3' HD12 ' B' ' 21' ' ' ILE . 1.3 t80 -57.75 -15.25 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -113.42 132.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 89.9 t -101.99 117.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.0 m -66.68 117.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.67 55.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' ILE . 3.3 p -89.26 133.04 34.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.356 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -122.44 124.59 43.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.989 ' SG ' HD11 ' A' ' 38' ' ' ILE . 55.7 m -96.56 147.91 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.872 HD11 ' HB3' ' A' ' 68' ' ' ARG . 1.5 mp -109.65 131.58 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.0 124.02 26.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -95.94 -43.19 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 14.2 m-85 -110.21 161.37 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -96.55 84.61 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 3.5 t80 -78.11 131.73 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -90.52 26.0 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 58.9 149.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 HD11 ' B' ' 12' ' ' LEU . 5.1 t -121.75 -34.88 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.34 144.07 48.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.078 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.9 -17.19 35.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -85.22 -20.61 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.2 165.19 23.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 12.6 mt -115.71 106.46 50.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -140.57 179.07 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -122.81 144.07 49.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.84 137.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.72 -18.05 55.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -74.71 137.94 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.05 138.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.3 mp -129.67 150.38 51.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -106.41 130.26 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.989 HD11 ' SG ' ' A' ' 14' ' ' CYS . 4.9 mp -69.63 134.26 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG21 ' HG3' ' A' ' 51' ' ' LYS . 2.8 t -123.22 -36.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -157.02 157.28 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 42' ' ' THR . 99.2 t -107.92 168.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.565 ' N ' HG12 ' A' ' 41' ' ' VAL . 14.5 p -115.25 169.4 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' CB ' ' HB2' ' B' ' 18' ' ' GLU . 7.7 tptp -45.33 -35.9 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.36 154.55 42.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.668 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.97 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 12.1 m120 -33.37 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.796 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.56 121.09 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 63.4 m-85 -138.62 145.47 40.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 1.173 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 2.1 ttmm -99.51 122.99 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.44 170.37 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 57' ' ' GLU . 26.6 mtmt -117.57 158.13 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 28' ' ' LEU . 3.0 m-20 -98.15 169.54 9.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -11.28 60.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 52' ' ' ASN . 28.3 m -84.1 -12.87 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.95 34.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.5 mmt180 -82.24 152.04 26.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 1.4 pt-20 -136.41 129.32 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.187 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -172.92 -163.76 27.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -108.22 151.39 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.846 HD12 HG11 ' A' ' 65' ' ' VAL . 21.2 pt -143.33 129.46 10.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 122.27 7.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.557 1.819 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.82 -20.36 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.36 -7.16 17.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 28.9 m-85 -125.28 -5.65 7.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 60' ' ' ILE . 7.6 p -144.66 149.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -115.33 160.07 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -93.97 114.95 27.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.94 150.69 38.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.898 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.59 175.85 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 155.11 42.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.706 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.1 pt-20 -52.53 137.83 29.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.898 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -88.33 86.6 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.567 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.2 p -81.32 144.04 53.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HB2' ' CB ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -62.08 -13.03 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p -58.51 -31.58 68.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -55.8 -16.87 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.7 mp -112.09 131.61 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.409 HG11 ' HB1' ' A' ' 40' ' ' ALA . 54.0 t -103.51 125.27 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.416 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.4 m -66.65 117.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.8 pt-20 -78.65 55.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -85.5 139.39 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -106.71 131.01 54.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 60' ' ' ILE . 17.4 p -115.58 151.67 34.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -117.05 135.6 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' LYS . . . -79.18 125.24 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.4 -43.6 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 51.5 m-85 -97.32 130.53 44.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -75.48 109.28 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -108.89 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -91.04 29.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 135.39 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.601 ' HB ' ' CE1' ' A' ' 20' ' ' PHE . 8.0 t -114.42 -29.64 6.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.441 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.63 151.73 49.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.85 -28.23 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 59' ' ' ILE . 38.4 mt-30 -81.88 -19.51 40.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.63 158.31 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 HD21 ' A' ' 36' ' ' LEU . 2.3 pp -126.7 112.56 22.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.4 30.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.5 -171.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LYS . 51.5 m -122.07 129.06 52.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' CYS . 12.2 pttt -39.14 130.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.32 -18.2 30.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -75.63 145.84 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.93 137.83 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 28' ' ' LEU . 3.9 mp -130.81 142.01 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 127.03 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.33 136.96 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 78.5 t -113.79 -33.88 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.51 161.54 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 48' ' ' TYR . 48.9 t -103.1 152.77 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' HA ' ' A' ' 48' ' ' TYR . 18.2 p -98.23 173.81 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -14.36 62.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.61 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.7 m-20 -91.9 166.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.97 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -75.05 49.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.4 m95 -142.53 121.94 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.058 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.766 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.0 m-85 -151.33 139.3 20.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.6 tttm -90.63 121.64 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.88 170.68 13.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.383 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -120.73 157.58 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.49 ' HB2' HG22 ' A' ' 54' ' ' VAL . 14.8 m120 -91.98 172.57 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -12.21 61.33 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.461 1.101 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 52' ' ' ASN . 26.3 m -85.78 -13.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.75 13.83 36.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -76.27 150.54 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.12 121.42 34.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.716 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.13 169.89 39.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.9 mp -95.88 151.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 65' ' ' VAL . 10.7 pt -143.85 131.99 10.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 122.44 7.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.19 -21.4 59.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -71.24 -1.03 11.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 10.7 m-85 -126.42 -1.73 6.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -144.18 162.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.24 133.84 55.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.33 111.9 20.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -74.96 150.16 37.94 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.869 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.15 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.604 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 149.48 36.74 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.458 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -57.55 125.14 21.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.569 HH12 ' NE2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -72.03 85.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.61 HG23 ' OD2' ' A' ' 44' ' ' ASP . 14.3 p -66.37 147.34 98.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.94 -16.53 20.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.28 -12.32 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -56.39 -30.91 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.633 ' HB3' HD12 ' B' ' 21' ' ' ILE . 18.8 t80 -57.89 -15.73 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -115.48 131.04 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.505 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 20.5 t -90.78 122.19 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -65.19 123.71 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.8 pt-20 -78.27 54.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.8 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 p -92.43 139.77 30.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -116.1 132.06 56.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.592 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.4 m -105.45 149.79 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.9 mp -110.91 131.97 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.73 136.58 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -43.6 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 17.1 m-85 -112.05 128.54 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -74.6 100.49 3.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 39.3 t80 -102.7 176.97 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.426 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -114.17 -80.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.639 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.52 161.15 10.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.725 HG21 HD11 ' B' ' 12' ' ' LEU . 4.0 p -114.62 -38.13 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.5 158.01 16.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -68.13 -10.16 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.973 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -97.04 -14.28 21.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 5.0 m-20 -76.03 130.17 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -120.38 119.39 30.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' HIS . 18.3 Cg_endo -74.99 155.21 42.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.683 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -122.41 -179.73 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.52 131.64 56.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.277 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 133.19 9.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.77 -15.38 63.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -75.76 151.34 37.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.58 138.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 60' ' ' ILE . 3.9 mp -129.55 150.35 50.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.674 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -107.37 135.74 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.643 HD13 ' HE2' ' A' ' 67' ' ' LYS . 2.1 tp -68.99 135.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.6 t -113.26 -34.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.96 161.14 2.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.67 160.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.461 HG23 ' HA ' ' A' ' 48' ' ' TYR . 22.3 p -112.97 171.45 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -76.13 -4.46 41.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' ' OG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER -100.05 157.64 33.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 158.46 42.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.778 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER 33.5 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.9 m95 -129.8 116.95 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.05 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 46' ' ' ASN . 1.4 m-85 -149.2 148.22 29.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.1 ttpt -93.27 122.28 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.85 170.16 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.94 157.39 34.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -95.95 174.28 7.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -10.97 60.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.33 -13.29 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 4.79 56.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.29 148.0 49.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -126.89 130.65 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.767 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -178.11 173.68 46.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.973 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.03 147.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 HG11 ' A' ' 65' ' ' VAL . 32.9 pt -136.63 131.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -56.63 -17.11 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -11.06 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.4 m-85 -127.06 -1.27 6.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 15' ' ' ILE . 2.7 p -142.93 145.26 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.66 154.67 23.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.35 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -96.92 115.48 27.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.819 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 150.56 38.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.872 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.25 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 153.72 41.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 8.1 pm0 -53.37 144.36 16.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 70.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.526 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 80.7 p -66.06 147.32 98.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -11.8 21.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 2.7 mp0 -62.93 -11.79 20.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -59.34 -29.68 67.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.462 ' C ' HD12 ' B' ' 21' ' ' ILE . 28.4 t80 -57.66 -14.64 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.564 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -113.63 130.79 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.49 125.55 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.415 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.2 m -66.84 116.84 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.6 pt-20 -78.65 56.19 1.8 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 24' ' ' GLU . 19.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -103.37 139.66 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.45 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 1.4 mm-40 -104.37 130.96 52.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.634 ' HB3' HG22 ' A' ' 65' ' ' VAL . 7.4 m -107.6 148.52 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.806 HD13 HG23 ' A' ' 35' ' ' VAL . 40.2 mm -110.57 132.06 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.17 125.71 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -44.75 3.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 54.1 m-85 -104.05 132.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.29 95.92 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 4.5 t80 -86.28 136.78 33.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -53.66 6.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.654 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.99 137.78 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -120.27 -31.36 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.8 143.53 50.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -19.97 49.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.739 ' O ' HD12 ' A' ' 59' ' ' ILE . 31.5 mt-30 -82.97 -21.83 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.02 146.88 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.907 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.9 pp -117.42 113.45 38.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.54 33.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.837 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.4 p90 -139.24 -176.26 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -122.71 133.6 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -39.39 135.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.43 -15.3 58.92 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.47 144.86 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.806 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.98 135.91 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.0 mm? -125.67 160.13 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.65 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -115.19 128.46 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.1 mm -66.71 131.62 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 77.3 t -114.24 -34.8 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.589 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -166.92 161.19 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 48' ' ' TYR . 15.5 t -103.69 149.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 11.6 p -97.3 172.84 7.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -24.59 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -91.5 153.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.06 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.506 1.793 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' B' ' 13' ' ' PRO . 87.3 m-20 -80.82 41.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CE3' HG22 ' A' ' 59' ' ' ILE . 26.5 m95 -146.95 127.04 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 91.2 m-85 -150.23 137.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.4 ttpt -95.04 120.91 36.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.392 1.057 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -132.22 170.09 15.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -119.93 150.9 39.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' HB2' HG22 ' A' ' 54' ' ' VAL . 3.7 m-20 -86.04 174.4 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -71.88 -11.12 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 56' ' ' ARG . 16.8 m -84.15 -11.43 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.5 10.93 55.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -79.06 151.82 31.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -127.43 127.01 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.907 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.69 170.92 39.99 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.786 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -99.67 148.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.599 HD12 HG11 ' A' ' 65' ' ' VAL . 6.6 pt -143.43 141.22 18.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.06 131.09 13.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.552 1.817 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.83 -28.47 68.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -3.08 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 7.9 m-85 -120.53 -12.03 8.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 14' ' ' CYS . 2.5 p -145.11 145.37 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -109.06 154.78 21.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.5 117.08 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.06 150.54 38.07 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.848 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.34 175.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' CB ' ' A' ' 46' ' ' ASN . 18.2 Cg_endo -75.05 148.68 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' B' ' 16' ' ' THR . 4.2 pt-20 -54.76 120.62 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.58 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -77.27 90.38 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.563 HG22 ' HG3' ' B' ' 14' ' ' GLU . 30.7 p -79.11 147.86 70.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.95 -18.84 18.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -12.36 21.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.509 ' CB ' HH21 ' B' ' 15' ' ' ARG . 89.6 p -56.09 -31.29 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.405 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -56.5 -16.45 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.479 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -112.48 131.9 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.589 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.9 t -101.19 125.94 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.438 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.7 m -68.72 118.29 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.61 55.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.5 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 38' ' ' ILE . 25.0 p -102.63 140.8 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.09 121.69 43.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.593 ' HB3' HG22 ' A' ' 65' ' ' VAL . 2.3 m -96.93 142.56 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.67 HD11 ' HB2' ' A' ' 68' ' ' ARG . 1.1 mp -118.73 132.15 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.99 125.18 29.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -51.39 10.34 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 8.3 p90 -143.8 -172.61 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 13.5 t-20 -73.42 150.0 42.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.625 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -124.41 -51.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 111.061 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 19.0 t60 90.8 111.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.65 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' HIS . . . -36.79 131.66 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 HD11 ' B' ' 12' ' ' LEU . 13.1 t -111.93 -25.68 9.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.492 0.76 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.03 147.38 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.67 -18.37 30.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.648 ' O ' HD12 ' A' ' 59' ' ' ILE . 38.9 mt-30 -88.53 -20.51 24.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 1.6 t70 -78.8 156.37 28.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 HD22 ' A' ' 52' ' ' ASN . 61.2 mt -119.68 100.49 49.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.54 20.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -138.4 -174.34 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.82 152.74 39.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -47.32 141.43 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -19.55 53.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.419 1.075 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -71.61 135.28 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.65 139.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.6 mp -130.05 162.78 27.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -109.08 133.59 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -66.27 137.21 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 62.0 t -117.82 -35.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -175.45 159.61 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 42' ' ' THR . 63.3 t -97.21 164.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 41' ' ' VAL . 25.0 p -116.78 173.67 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.24 67.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -91.54 154.74 44.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.627 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.98 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 41.8 m-20 -79.1 40.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.684 ' HE3' HG22 ' A' ' 59' ' ' ILE . 24.2 m95 -142.94 127.11 17.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 89.2 m-85 -153.01 140.62 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -93.76 122.48 36.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -134.1 168.39 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -118.86 155.9 30.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.216 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' A' ' 54' ' ' VAL . 14.5 m-80 -96.39 176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -9.96 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.1 p -83.46 -14.38 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 -2.57 56.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -69.47 150.36 47.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 0.715 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.65 132.05 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -164.77 -161.15 13.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -111.4 150.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.894 HD12 HG11 ' A' ' 65' ' ' VAL . 7.0 pt -145.95 132.65 9.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.603 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.6 Cg_endo -74.98 120.83 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.79 -15.46 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -9.48 30.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 92.0 m-85 -126.3 -2.47 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.83 145.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -111.55 154.77 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 113.37 25.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.621 1.201 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.1 Cg_endo -75.03 150.09 37.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.904 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -50.31 115.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -66.85 91.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.414 1.071 . . . . 0.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.44 ' H ' HG23 ' B' ' 16' ' ' THR . 1.6 p -73.29 146.15 86.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.96 20.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -15.92 58.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.478 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.9 p -56.76 -29.55 62.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.522 ' HB3' HD12 ' B' ' 21' ' ' ILE . 39.1 t80 -58.43 -14.83 8.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.13 131.73 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.532 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 21.6 t -89.59 118.73 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -65.93 115.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.4 pt-20 -78.66 54.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -67.21 134.64 52.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.2 tt0 -105.23 123.47 47.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HD11 ' A' ' 38' ' ' ILE . 19.0 m -96.24 137.36 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.347 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 HG23 ' A' ' 35' ' ' VAL . 19.0 mm -107.15 129.36 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -80.52 120.33 24.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' CD2' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -72.45 -49.45 33.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -151.26 -169.78 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -81.74 121.89 26.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.824 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.5 t80 -99.09 110.18 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -41.61 -44.99 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.04 152.39 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -119.7 -36.08 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.409 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.91 148.15 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.4 -13.72 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -87.8 -16.99 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -61.54 -169.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -134.33 100.65 12.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 133.47 16.53 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.638 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 10.6 p90 -139.33 178.75 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 57.3 m -119.15 142.54 47.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 18' ' ' TYR . 1.1 pttt -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.41 -5.9 84.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 17.1 t0 -74.96 147.77 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.682 HG22 ' HG2' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -112.8 137.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -131.4 155.03 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.504 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -114.91 132.91 56.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.048 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.3 mm -81.72 128.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.933 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.7 t -104.74 -34.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.38 131.58 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 48' ' ' TYR . 29.6 t -92.36 149.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 48' ' ' TYR . 30.1 p -87.52 174.97 8.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -28.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -100.97 152.51 37.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.695 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -75.01 -63.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.818 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 26.9 m-80 -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE3' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -105.55 114.84 29.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.849 ' OH ' ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -152.84 152.69 31.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.21 122.9 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.048 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -125.07 169.53 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.933 ' HD3' HG21 ' A' ' 39' ' ' VAL . 16.2 mtpt -125.51 155.96 39.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -100.75 176.29 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -12.72 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 15.5 m -85.4 -8.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.77 63.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.419 1.074 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -70.42 148.38 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' CG ' ' HG2' ' A' ' 51' ' ' LYS . 1.1 mt-10 -127.87 129.58 47.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 28' ' ' LEU . . . -174.98 171.03 44.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -96.7 146.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 36' ' ' LEU . 49.1 pt -135.2 128.43 18.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.538 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.97 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -60.35 -18.96 53.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -10.11 32.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.9 m-85 -126.53 -3.55 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -144.86 155.58 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.82 131.78 49.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 109.07 6.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 14.1 ptt180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.97 150.5 38.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.834 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 152.31 40.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.9 pt-20 -51.67 126.23 17.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.07 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 88.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.507 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.0 p -73.15 140.51 80.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.483 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.04 -23.68 13.49 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.418 1.746 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.16 -12.31 19.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.48 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -57.0 -31.23 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' B' ' 21' ' ' ILE . 28.3 t80 -55.54 -15.85 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -115.13 129.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.98 139.2 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -67.81 128.4 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.37 56.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.732 ' OG1' HD13 ' A' ' 38' ' ' ILE . 3.0 p -105.01 140.6 37.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 0.718 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.87 112.1 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -97.46 133.58 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.805 HD13 HG23 ' A' ' 35' ' ' VAL . 10.1 mm -107.24 130.88 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.55 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -77.54 128.37 34.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -42.32 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 45.3 m-85 -102.02 170.47 8.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -112.06 74.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 2.6 t80 -80.83 126.97 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -91.04 34.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' CA ' ' OD1' ' A' ' 27' ' ' ASP . . . 58.57 150.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.53 HG21 ' CD1' ' B' ' 12' ' ' LEU . 7.0 t -124.45 -34.0 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.05 149.71 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.3 -36.5 71.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.349 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.822 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm-40 -72.61 -21.41 61.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CA ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -79.95 151.24 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.838 HD23 ' CA ' ' A' ' 58' ' ' GLY . 2.3 pp -122.93 121.89 27.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 146.65 32.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.1 p90 -139.17 154.25 48.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.6 m -94.83 122.29 37.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.85 146.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.082 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 -24.71 28.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 31' ' ' CYS . 3.6 p-10 -75.19 155.72 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.78 139.29 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 60' ' ' ILE . 2.1 mt -128.2 139.04 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.8 m -101.82 134.49 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.732 HD13 ' OG1' ' A' ' 12' ' ' THR . 1.1 mp -65.87 133.74 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.8 t -106.7 -32.34 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.1 150.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 42' ' ' THR . 76.8 t -100.87 159.81 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' ASP . 2.8 p -123.01 173.72 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.55 5.5 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.619 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.61 161.33 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.578 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.99 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.856 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 75.0 m-20 -87.0 41.95 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.771 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.4 m95 -130.95 115.88 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.7 m-85 -143.95 151.09 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.4 tttt -95.85 121.65 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.17 169.58 15.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 48.9 pttt -119.42 157.19 28.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.537 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.49 179.45 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.07 -10.66 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG2' ' HE2' ' A' ' 53' ' ' LYS . 46.8 t -83.67 -11.83 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.26 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -71.13 149.06 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.231 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' A' ' 51' ' ' LYS . 11.1 mp0 -119.55 128.24 53.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.838 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -166.23 170.55 40.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mp -96.56 146.45 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 36' ' ' LEU . 38.2 pt -137.7 136.11 19.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.08 122.72 7.35 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -57.56 -18.21 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.95 -8.43 22.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.689 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 19.5 m-85 -127.1 -1.59 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.2 p -143.87 146.63 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -113.93 157.23 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.42 114.62 28.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -75.01 150.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.86 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.28 176.21 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.67 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.5 pt-20 -58.55 150.56 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 91.79 7.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.448 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p -78.24 138.02 60.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -21.24 16.21 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.38 -11.89 18.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 82.1 p -57.06 -27.9 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.537 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -61.43 -15.59 38.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.95 131.52 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 42.8 t -105.08 119.75 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -66.74 139.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 22.0 mt-10 -86.53 54.32 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.1 p -78.93 139.13 38.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.68 128.94 50.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.581 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.03 137.79 34.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.913 HD13 HG23 ' A' ' 35' ' ' VAL . 3.5 mm -109.44 133.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -80.09 122.86 27.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -105.56 -43.25 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 29.8 m-85 -114.15 161.46 17.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.45 104.27 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.75 125.68 45.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -76.68 145.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.0 147.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.613 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -114.68 -29.86 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.25 153.24 50.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.77 -33.55 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.911 ' HG2' HD11 ' A' ' 59' ' ' ILE . 1.9 tp60 -81.16 -15.8 54.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.072 . . . . 0.0 110.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -80.37 176.94 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 60' ' ' ILE . 85.5 mt -134.23 138.97 31.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.078 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 137.61 22.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 1.181 ' CE1' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -117.21 139.23 51.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.0 t -125.89 114.3 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.382 1.051 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -32.14 130.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 -19.58 54.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.06 140.4 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.913 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.95 139.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.181 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.1 mp -129.63 165.85 20.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.731 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.0 m -112.76 134.17 54.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 38' ' ' ILE . 20.0 mm -70.12 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.496 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 94.8 t -115.84 -35.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.3 161.27 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.592 ' H ' HG13 ' B' ' 22' ' ' VAL . 45.4 t -96.21 170.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 48' ' ' TYR . 25.4 p -121.51 172.48 8.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -66.27 -21.71 66.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.519 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 5.9 m-20 -92.13 160.66 35.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.592 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.94 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 24.4 m-20 -79.35 47.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.73 ' CE3' HG22 ' A' ' 59' ' ' ILE . 18.9 m95 -145.64 125.29 13.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 107.975 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.65 ' HA ' HG23 ' A' ' 42' ' ' THR . 73.9 m-85 -152.58 143.5 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -93.61 121.98 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -138.15 171.0 15.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.39 1.056 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.8 pttt -119.56 157.98 27.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 36' ' ' LEU . 11.4 m120 -99.02 177.43 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -72.35 -12.24 61.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 56' ' ' ARG . 2.3 m -83.43 -8.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 3.3 62.73 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.69 148.96 48.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' C ' HD11 ' A' ' 28' ' ' LEU . 6.8 pt-20 -137.3 130.76 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 28' ' ' LEU . . . -177.34 -167.25 35.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.911 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -103.48 149.9 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.936 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -143.12 142.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.798 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.4 Cg_endo -74.92 116.88 4.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.678 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -64.24 -11.43 31.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.56 -10.77 13.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 26.4 m-85 -126.95 -0.97 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 60' ' ' ILE . 2.3 p -143.69 145.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 150.97 46.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 109.27 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 110.323 -179.986 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.88 150.56 38.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.833 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.71 174.34 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 150.92 39.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -56.01 116.86 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.123 . . . . 0.0 110.392 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.559 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -65.44 87.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.431 ' H ' HG23 ' B' ' 16' ' ' THR . 4.4 p -66.66 148.9 98.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.31 20.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 14.5 mt-10 -61.65 -13.61 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -56.93 -31.32 64.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.471 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.0 OUTLIER -56.93 -16.09 6.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.573 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.7 mp -114.62 130.54 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.592 HG13 ' H ' ' A' ' 41' ' ' VAL . 3.6 t -89.83 134.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.404 HG12 ' HE3' ' A' ' 43' ' ' LYS . 2.5 m -67.02 117.72 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.56 55.33 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 73.6 p -84.71 137.98 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 0.826 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -108.91 126.66 53.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.11 145.1 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -112.4 132.06 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.26 127.67 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -45.19 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 33.6 m-85 -101.91 134.72 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.724 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 45.4 t30 -74.16 79.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 5.0 t80 -78.07 97.04 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -47.33 -48.48 25.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.38 151.33 5.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -116.4 -34.94 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -151.47 151.95 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -63.04 -11.58 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -83.16 -21.3 33.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -78.24 -167.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB2' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.23 99.08 14.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -140.29 -176.03 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -122.72 134.55 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 108.348 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.724 ' HZ3' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -42.39 134.13 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.6 58.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -75.31 143.99 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.67 137.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.051 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.67 159.84 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.515 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m -108.55 134.38 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.51 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 1.9 tp -66.63 136.89 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 19.7 t -109.94 -36.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -176.98 159.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.901 HG13 ' CD1' ' A' ' 48' ' ' TYR . 14.5 t -102.78 149.05 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 48' ' ' TYR . 11.3 p -95.63 172.37 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -62.97 -33.89 76.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.698 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -91.82 148.11 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.577 ' C ' ' H ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 163.61 35.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 5.1 t30 70.41 -39.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.861 ' CE3' HG22 ' A' ' 59' ' ' ILE . 2.0 m95 -80.27 121.57 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.901 ' CD1' HG13 ' A' ' 41' ' ' VAL . 20.7 m-85 -148.81 144.47 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 39.9 tttt -92.62 121.32 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -136.76 169.72 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 5.1 ptmt -119.52 157.33 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -97.83 178.18 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -11.4 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 3.6 m -84.59 -13.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.09 3.12 60.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 2.0 tpt180 -70.32 150.66 46.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.34 127.38 47.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -170.01 171.95 43.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.861 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.4 mp -95.99 147.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.114 HD12 HG11 ' A' ' 65' ' ' VAL . 1.7 pt -141.93 129.96 11.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.554 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -56.2 -17.75 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 66.7 t30 -63.37 -11.29 21.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 73.5 m-85 -125.14 -4.73 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.114 HG11 HD12 ' A' ' 60' ' ' ILE . 1.5 p -145.04 146.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.15 152.64 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.57 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.8 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.844 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.06 175.47 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 156.46 43.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.57 1.826 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' THR . 0.1 OUTLIER -56.51 120.08 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.512 ' H ' ' NE ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -65.63 78.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.698 HG21 ' OD1' ' A' ' 44' ' ' ASP . 20.4 p -65.3 136.49 96.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.86 -21.66 15.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 2.0 pm0 -60.4 -11.61 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -31.8 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' B' ' 21' ' ' ILE . 3.9 t80 -56.84 -15.78 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.0 131.87 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -99.22 133.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.89 117.16 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.67 55.52 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.903 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.505 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 70.1 p -78.36 137.71 38.16 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 0.731 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -112.01 125.23 53.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HB2' HG22 ' A' ' 65' ' ' VAL . 31.0 p -103.33 153.61 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.3 mp -118.6 131.77 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.88 138.93 37.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -128.74 -44.37 1.34 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' LYS . 2.6 m-85 -114.86 151.11 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -97.32 109.8 22.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -95.55 -48.51 5.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.8 t-80 86.86 98.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.568 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . -33.36 143.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.466 HG21 ' HD3' ' B' ' 15' ' ' ARG . 5.5 t -118.02 -33.25 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.371 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB3' ' CG ' ' A' ' 27' ' ' ASP . . . -85.71 154.59 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.82 -28.28 67.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.244 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.915 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.64 -13.65 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.646 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 65.5 m-20 -73.29 136.6 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.59 129.05 25.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 150.33 37.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.845 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 3.3 p90 -139.93 162.48 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 143.71 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 147.57 4.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.53 -23.29 19.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.43 141.21 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.56 138.85 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' ND2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -129.47 153.06 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 m -107.84 135.79 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.677 HD13 ' HE2' ' A' ' 67' ' ' LYS . 7.3 tp -66.43 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 51' ' ' LYS . 97.7 t -113.54 -31.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.796 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.56 154.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.59 155.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -107.91 169.58 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -44.55 -40.22 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 152.97 42.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.659 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.95 -79.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' PRO . 42.8 m-20 -32.98 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.6 m95 -82.43 116.25 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.969 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 64.8 m-85 -133.58 145.35 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -102.03 122.09 43.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.52 169.83 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.64 157.6 30.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.592 HD21 HD11 ' A' ' 28' ' ' LEU . 2.3 m-80 -95.68 177.31 5.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.88 60.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -84.12 -14.16 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.6 1.57 58.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.09 140.54 52.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -116.99 122.21 43.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -161.01 169.09 36.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.915 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.91 150.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 65' ' ' VAL . 30.7 pt -145.71 131.54 9.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -75.07 120.93 6.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.33 -12.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -13.73 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.375 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 39.8 m-85 -127.48 -0.77 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.4 p -143.29 145.29 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.89 153.69 22.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -104.81 113.84 27.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.981 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.048 -0.405 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 150.47 38.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.829 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 156.62 43.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.62 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -49.01 132.95 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.798 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.62 84.66 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.556 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -78.76 139.62 58.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.1 Cg_endo -75.06 -21.08 16.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -11.93 30.69 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.418 1.074 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -62.23 -30.04 70.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.46 ' C ' HD12 ' B' ' 21' ' ' ILE . 4.5 m-85 -57.67 -14.95 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.574 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -115.18 130.88 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.796 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.8 t -99.52 124.15 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.449 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.6 m -66.7 128.18 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.9 pt-20 -78.47 56.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.24 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 24' ' ' GLU . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -105.53 139.33 40.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.55 120.8 38.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' HG22 ' A' ' 65' ' ' VAL . 25.6 m -99.08 137.27 37.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.972 HD13 HG23 ' A' ' 35' ' ' VAL . 10.7 mm -106.73 130.83 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.32 134.97 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -41.42 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 89.3 m-85 -103.52 174.87 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -112.0 95.8 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' PRO . 19.8 t80 -92.63 109.08 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.01 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.72 151.61 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.479 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -121.37 -35.09 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.93 147.91 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -18.11 39.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -74.28 -23.63 59.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -176.73 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 58' ' ' GLY . 2.8 pp -134.3 128.17 19.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.35 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -142.37 164.34 30.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 50.5 m -123.03 151.58 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -50.38 147.82 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.13 -22.51 31.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.1 m-20 -73.33 140.68 46.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.972 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.65 137.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 3.6 mp -130.77 156.08 45.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.708 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 m -109.05 133.1 53.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.9 mm -66.6 130.57 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.4 t -110.03 -35.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -174.59 160.33 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.53 HG22 ' HD1' ' A' ' 48' ' ' TYR . 53.5 t -105.42 161.6 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' B' ' 19' ' ' SER . 18.0 p -116.07 172.06 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -10.48 59.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -93.55 154.78 41.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.03 161.62 38.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER 33.65 37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.7 m95 -131.06 117.09 18.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.53 ' HD1' HG22 ' A' ' 41' ' ' VAL . 17.1 m-85 -149.56 143.01 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 24.2 tttt -92.25 122.72 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.26 170.32 15.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.04 157.09 33.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -96.41 175.12 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -10.59 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.95 -13.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.66 3.21 57.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.25 143.72 52.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -123.92 122.21 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.512 ' C ' HD23 ' A' ' 28' ' ' LEU . . . -166.05 171.67 41.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 59' ' ' ILE . 2.7 mp -96.56 148.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.741 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.452 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -145.15 136.5 12.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.06 123.75 8.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.514 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -62.44 -11.95 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -9.27 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 21.1 m-85 -125.91 -7.01 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG23 ' C ' ' A' ' 15' ' ' ILE . 12.1 p -137.76 146.18 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.18 159.66 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -100.44 114.84 28.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.2 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.66 36.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.88 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.93 175.58 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.652 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 151.21 39.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.846 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.9 pm0 -54.14 147.1 13.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.215 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.849 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.3 OUTLIER -98.15 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.492 HG22 ' HG3' ' B' ' 14' ' ' GLU . 3.4 p -68.5 147.08 98.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.83 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.72 -12.57 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.416 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 2.0 t -56.51 -32.07 64.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.52 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.4 m-85 -56.31 -15.81 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.611 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -115.21 130.94 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.44 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 93.1 t -98.44 126.13 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.434 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.6 m -67.12 117.73 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.68 55.23 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.02 -85.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.646 HG22 ' CG ' ' A' ' 69' ' ' GLU . 11.6 p -95.36 139.68 31.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -115.76 135.85 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.234 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 60' ' ' ILE . 3.5 p -120.06 151.34 39.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.782 HG13 HG23 ' A' ' 35' ' ' VAL . 4.4 mp -120.72 134.63 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.93 129.51 34.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HD3' ' CE2' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -87.76 -42.21 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -114.45 177.77 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -106.35 72.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 65.1 t80 -80.35 122.18 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -172.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.6 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.59 134.82 13.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -116.74 -28.55 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.52 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.23 -25.57 61.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.81 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.75 -22.16 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.41 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.8 pp -127.76 130.2 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 156.42 42.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.582 1.833 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 20' ' ' PHE . 2.5 p90 -139.47 173.42 11.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' LYS . 53.9 m -123.22 126.32 46.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -36.09 124.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.34 -11.68 51.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.87 144.57 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.53 137.81 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 60' ' ' ILE . 1.3 mp -130.5 143.55 50.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.546 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -103.17 131.63 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -69.07 130.97 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.824 HG21 ' HD3' ' A' ' 51' ' ' LYS . 44.1 t -113.9 -33.19 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.13 160.96 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' ' 48' ' ' TYR . 28.0 t -104.33 147.76 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.409 HG21 HG21 ' A' ' 59' ' ' ILE . 13.2 p -95.07 171.01 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.1 tptt -45.94 -37.0 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.596 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.2 OUTLIER -93.72 156.49 39.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.655 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 -82.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 45' ' ' PRO . 29.7 m-80 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.801 ' CE3' HG22 ' A' ' 59' ' ' ILE . 8.6 m95 -81.74 119.43 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 85.1 m-85 -137.51 146.45 44.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.063 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.9 tttp -98.41 121.91 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.27 169.87 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.824 ' HD3' HG21 ' A' ' 39' ' ' VAL . 13.9 mtpp -116.49 157.72 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -94.19 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -13.24 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m -85.77 -6.76 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.98 11.84 58.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -78.52 151.55 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -125.85 126.46 44.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -168.83 166.22 39.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 26' ' ' GLN . 2.0 mp -94.93 147.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 65' ' ' VAL . 5.9 pt -141.01 142.64 28.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.5 Cg_endo -74.98 124.87 8.95 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -65.57 -25.36 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -71.68 -2.54 17.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -118.1 -2.35 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -144.0 175.08 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -125.05 135.69 52.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.535 ' NZ ' ' CD2' ' A' ' 48' ' ' TYR . 1.5 ttmt -95.53 110.54 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -25.8 67.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.646 ' CG ' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' B' ' 9' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.434 ' HD2' HG22 ' B' ' 8' ' ' ILE . 18.2 Cg_endo -75.02 174.2 13.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 114.69 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 149.97 37.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.837 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.99 175.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 155.72 43.07 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.68 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -50.8 135.42 23.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.808 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.33 94.06 8.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.596 HG21 ' OD1' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -87.13 141.68 33.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.13 20.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 4.1 mm-40 -61.88 -13.06 21.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -57.09 -28.14 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.44 -12.94 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.66 132.15 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 48.8 t -104.14 124.52 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.87 129.06 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 14.9 pt-20 -78.46 56.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.1 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.571 ' HA ' HG22 ' A' ' 37' ' ' THR . 54.1 p . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.43 -72.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.445 ' OG1' ' CG1' ' A' ' 38' ' ' ILE . 5.3 p -78.98 139.32 38.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 35' ' ' VAL . 12.4 tt0 -104.19 120.55 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 38' ' ' ILE . 14.1 m -97.71 142.77 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 108.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.938 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -114.1 133.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.4 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -118.88 -39.37 2.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.452 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 31.4 m-85 -104.57 174.68 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -125.11 63.96 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.711 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -86.25 134.33 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.565 ' O ' ' CZ ' ' A' ' 20' ' ' PHE . 9.9 m-70 -72.48 -173.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.2 141.02 20.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.67 HG21 HD11 ' B' ' 12' ' ' LEU . 12.2 t -117.14 -32.69 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.23 147.79 48.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -16.72 50.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.776 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm100 -94.98 -21.73 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.61 145.73 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.707 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.5 pp -116.04 119.76 36.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.37 30.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 6.9 p90 -139.3 175.56 9.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -122.69 149.58 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.35 138.98 20.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.34 -19.7 52.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.418 1.074 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.3 m-20 -74.21 139.32 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.938 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.21 137.33 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 28' ' ' LEU . 4.6 mp -130.3 157.75 41.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.5 m -113.32 136.44 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.578 HD11 ' SG ' ' A' ' 14' ' ' CYS . 28.6 mm -65.68 131.39 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.203 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.9 t -112.18 -33.72 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -173.53 152.06 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG13 ' HD1' ' A' ' 48' ' ' TYR . 9.8 t -99.64 150.14 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 p -99.05 172.15 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.47 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.43 146.04 31.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.593 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.4 Cg_endo -74.97 156.54 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.43 1.752 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.799 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 9.1 t30 75.09 -33.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.828 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.25 118.16 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 14.5 m-85 -145.31 139.11 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.9 ttpt -93.16 121.73 34.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.493 1.121 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.55 168.82 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -118.05 157.13 27.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 22.5 p30 -101.65 179.76 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -10.0 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.1 t -83.56 -13.49 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.07 -5.86 68.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -69.92 149.65 47.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.6 126.56 44.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.707 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -157.46 171.29 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.828 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.2 mp -97.42 145.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' LEU . 32.2 pt -146.13 131.23 9.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.06 130.12 12.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.799 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -61.04 -12.85 13.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.39 -14.47 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.711 ' CE2' ' CG ' ' A' ' 20' ' ' PHE . 21.4 m-85 -126.06 -1.62 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.7 p -143.77 145.56 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -110.3 155.92 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 110.48 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -50.61 -24.91 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 174.26 13.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.16 42.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -74.95 151.38 39.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.69 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.05 174.26 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 157.0 42.92 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.568 1.825 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.559 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.0 OUTLIER -65.93 122.59 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.203 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.84 82.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.559 HG22 ' HG3' ' B' ' 14' ' ' GLU . 15.5 p -66.59 147.38 99.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.462 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -74.95 -16.79 20.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.72 -13.2 20.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -56.74 -32.14 65.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.458 ' C ' HD12 ' B' ' 21' ' ' ILE . 9.3 m-85 -55.59 -16.91 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.577 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.7 mp -114.01 130.87 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 90.4 t -100.62 121.9 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.71 116.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.2 pt-20 -78.62 54.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.47 -36.86 0.59 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 p -67.49 138.23 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 128.81 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.74 ' HB2' HG22 ' A' ' 65' ' ' VAL . 14.6 p -101.53 151.49 21.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.754 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -114.4 133.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.942 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -81.55 132.12 35.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 -42.19 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 18.9 m-85 -108.17 137.96 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -87.96 115.44 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 22.7 t80 -124.66 131.68 53.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.488 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -68.57 178.78 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.66 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 141.94 19.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 t -118.63 -31.15 4.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.776 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.5 148.05 52.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.43 -33.24 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.868 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.5 mt-30 -76.89 -22.04 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.7 158.32 25.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.685 ' HG ' HG23 ' A' ' 60' ' ' ILE . 1.9 pp -129.23 145.63 57.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 141.57 26.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.942 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.99 142.38 45.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.8 p -124.07 110.1 14.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.237 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -35.71 134.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.95 -26.35 24.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.63 148.49 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.33 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 18.3 mt -124.16 158.47 32.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.69 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -116.56 132.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.18 125.11 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 40.7 t -107.57 -35.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -172.2 159.4 4.82 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 t -103.58 152.74 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 p -104.62 171.28 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -39.0 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.1 OUTLIER -92.77 151.51 40.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' PRO . 3.8 m120 -33.15 -36.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.643 1.215 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.819 ' CE3' HG22 ' A' ' 59' ' ' ILE . 10.3 m95 -80.57 125.6 30.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 79.7 m-85 -141.86 144.97 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 6.0 tttm -103.29 122.43 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -137.53 169.5 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 43.3 pttt -126.3 148.96 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.789 ' ND2' HD21 ' A' ' 36' ' ' LEU . 1.2 m120 -86.42 176.0 8.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -71.22 -8.96 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG22 ' CE ' ' A' ' 53' ' ' LYS . 19.9 t -82.49 -14.4 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.97 -3.13 58.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.7 mpt_? -69.42 136.83 52.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 0.728 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.25 123.68 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -160.7 167.82 35.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.7 mp -95.95 143.2 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 65' ' ' VAL . 1.7 pp -141.86 137.63 16.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.227 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.01 129.61 12.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -63.04 -11.67 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -62.14 -11.6 15.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.9 m-85 -128.57 -0.29 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.754 HG23 ' C ' ' A' ' 15' ' ' ILE . 9.8 p -144.21 145.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -127.08 142.58 51.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' GLU . 4.3 ttpt -72.19 114.93 10.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -37.86 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.8 tp10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 8' ' ' ILE . 18.3 Cg_endo -74.96 174.32 12.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.28 37.77 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.867 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.52 174.86 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 151.45 39.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.522 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -51.28 123.99 10.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.455 HH21 ' CB ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -73.18 91.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.522 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.5 p -76.44 143.75 73.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.07 -18.4 18.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -62.75 -13.39 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.455 ' CB ' HH21 ' B' ' 15' ' ' ARG . 70.5 m -58.71 -30.3 67.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.36 -15.64 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.418 HD12 ' N ' ' B' ' 21' ' ' ILE . 4.2 mp -114.4 130.98 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 40' ' ' ALA . 86.3 t -109.36 124.41 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.401 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -66.79 117.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.1 pt-20 -78.61 56.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 6.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.51 -75.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -79.43 134.02 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.4 tt0 -108.54 127.45 53.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.94 147.76 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.776 HD13 HG23 ' A' ' 35' ' ' VAL . 14.0 mm -116.27 128.45 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.672 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.68 136.6 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.58 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -116.43 -41.29 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.58 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 68.2 m-85 -110.13 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -116.72 76.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -91.75 120.87 32.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.563 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 31.3 m170 -59.37 175.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.565 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -77.41 146.3 31.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -115.57 -33.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.09 152.92 46.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.41 -36.38 66.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.215 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.805 ' O ' HD12 ' A' ' 59' ' ' ILE . 37.7 mt-30 -77.79 -21.35 51.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -79.67 135.69 36.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -114.19 120.41 38.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.96 141.41 26.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.672 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 18.2 p90 -132.33 159.17 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LYS . 80.7 m -108.64 136.28 48.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.52 145.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.41 35.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -74.27 147.6 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.42 134.74 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD22 HD13 ' A' ' 60' ' ' ILE . 3.6 mp -130.92 121.67 25.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.53 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 m -88.88 135.83 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 10' ' ' SER . 39.9 mm -65.46 129.31 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 55.0 t -104.11 -35.41 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -169.19 146.81 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.03 155.92 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 44' ' ' ASP . 1.7 p -118.73 173.97 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.95 5.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.99 161.5 38.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.586 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.98 -90.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 95.2 m-20 -86.64 41.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.772 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.1 m95 -131.22 115.84 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.586 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.9 m-85 -143.87 152.32 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -96.6 122.1 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.63 170.04 14.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.5 pttm -120.42 157.71 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.02 176.75 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -11.28 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.97 -14.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.58 2.68 57.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -69.96 151.12 45.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.78 134.87 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.537 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -177.4 170.75 43.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -96.62 146.75 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.829 HD13 HD22 ' A' ' 36' ' ' LEU . 28.8 pt -138.72 136.21 18.5 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.371 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.7 Cg_endo -74.96 116.35 4.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -55.38 -16.45 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -12.83 13.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 58.5 m-85 -128.47 0.75 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 62' ' ' ALA . 2.2 p -143.16 145.67 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -114.53 153.99 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -100.34 114.7 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -49.25 -28.35 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 122.13 6.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 150.36 38.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.831 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.92 176.06 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 157.23 42.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -57.56 153.0 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.237 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.16 87.39 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.8 p -72.3 136.96 81.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.87 14.38 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.21 -11.66 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 5.2 t -57.07 -25.55 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -10.82 14.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.53 131.61 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.515 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 38.8 t -111.62 124.32 68.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.67 117.94 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.0 pt-20 -78.64 55.48 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.65 14.06 6.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 p -80.96 134.47 35.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.81 126.27 45.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 136.09 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -106.57 130.77 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.693 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.49 124.94 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -107.01 -43.49 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 17.5 m-85 -113.64 133.27 55.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.09 93.81 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.372 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 30.4 t80 -93.65 135.47 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.76 178.24 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 125.42 25.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 20' ' ' PHE . 5.2 t -115.88 -14.05 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.71 25.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -56.34 -28.21 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.736 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -88.94 -20.79 24.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.11 136.75 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.752 HD12 ' C ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.37 121.94 32.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.76 23.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.2 p90 -118.73 178.1 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 4.7 m -116.18 121.21 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -44.17 138.25 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.77 -27.3 21.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 56.6 p30 -77.59 147.58 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.55 138.27 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.22 168.75 16.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 6.5 m -111.88 135.56 52.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.937 HD13 ' HB2' ' A' ' 50' ' ' ALA . 27.1 mm -73.23 137.83 22.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.4 t -104.73 -33.62 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.067 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.04 161.96 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.775 HG13 ' CD1' ' A' ' 48' ' ' TYR . 59.8 t -102.82 155.34 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 47' ' ' TRP . 34.6 p -99.71 172.51 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE2' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -73.85 -20.53 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' B' ' 14' ' ' GLU . 0.9 OUTLIER -91.93 153.13 43.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 170.03 21.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER 38.36 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 7.6 m95 -133.67 123.2 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.956 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.775 ' CD1' HG13 ' A' ' 41' ' ' VAL . 16.1 m-85 -152.32 140.73 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.5 ttpp -92.31 122.42 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.374 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.79 169.66 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.16 156.85 31.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 3.9 p30 -98.74 176.63 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -9.31 52.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -82.35 -13.53 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.72 -4.58 69.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -70.36 143.28 51.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -117.39 124.94 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.45 172.37 36.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.582 1.176 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -96.44 150.33 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.006 HD12 HG11 ' A' ' 65' ' ' VAL . 5.8 pt -146.29 132.54 9.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 122.86 7.5 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -58.71 -16.1 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.64 -11.74 18.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 72.4 m-85 -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 60' ' ' ILE . 2.5 p -144.75 145.01 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.65 152.43 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -99.48 114.56 27.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -29.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.08 149.75 36.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.897 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 149.43 36.7 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 4.4 pt-20 -54.56 127.74 29.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 79.4 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.46 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 69.1 p -64.8 145.89 98.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.462 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.55 21.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 57.2 mm-40 -60.54 -13.44 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 p -56.04 -34.07 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.001 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.538 ' C ' HD12 ' B' ' 21' ' ' ILE . 25.2 m-85 -54.51 -17.95 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 111.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.645 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -115.15 130.53 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.439 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 46.1 t -96.19 126.44 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 2.5 m -66.72 119.92 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.1 pt-20 -78.73 56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.66 -37.59 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -67.07 138.97 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 0.744 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 3.3 pt-20 -128.46 140.39 51.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.784 ' HB3' HG22 ' A' ' 65' ' ' VAL . 20.3 m -98.29 151.34 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 35' ' ' VAL . 14.9 mm -115.96 133.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 135.17 36.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -40.84 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 43.3 m-85 -103.16 150.6 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 91.92 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.724 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 13.6 t80 -92.34 127.9 37.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -67.81 -62.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.594 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.67 155.2 7.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.499 HG21 HD11 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -118.96 -35.94 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.368 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . . . -148.54 157.12 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.41 -6.08 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 5.0 mt-30 -86.43 -21.02 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 16.9 p30 -79.58 176.74 9.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 28' ' ' LEU . 11.8 mt -126.69 99.34 29.84 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.08 17.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 36' ' ' LEU . 5.5 p90 -140.75 -174.28 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' LYS . 3.6 m -118.18 134.83 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.61 125.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.0 -8.1 35.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -75.55 150.76 38.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.0 137.71 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 60' ' ' ILE . 1.7 mp -131.04 149.48 52.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.224 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.657 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m -106.83 135.25 48.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' SG ' ' A' ' 14' ' ' CYS . 25.3 mm -66.59 129.34 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 51.9 t -113.01 -35.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.924 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . . . -175.19 151.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -94.77 159.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 p -111.48 167.5 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.13 -40.71 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.338 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.75 153.93 41.03 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.708 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.03 -82.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.569 ' C ' ' O ' ' A' ' 45' ' ' PRO . 17.3 m-20 -27.2 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.803 ' CE3' HG22 ' A' ' 59' ' ' ILE . 6.7 m95 -80.1 123.3 27.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.708 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 67.2 m-85 -141.2 146.22 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.924 ' HE2' ' HB3' ' A' ' 40' ' ' ALA . 4.2 ttpt -103.05 122.92 45.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -139.08 171.18 14.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -113.87 157.77 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 36' ' ' LEU . 4.6 m-20 -98.22 177.52 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -10.75 60.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 22.3 m -84.21 -14.12 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.93 -0.04 57.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.18 151.4 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.96 124.82 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -162.41 -164.03 16.49 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -109.2 151.52 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.042 HD12 HG11 ' A' ' 65' ' ' VAL . 5.3 pt -146.63 129.03 7.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.1 122.61 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -59.71 -13.34 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -58.2 -16.23 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.5 m-85 -127.03 -1.62 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 60' ' ' ILE . 7.7 p -144.8 145.89 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -121.32 155.49 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.23 110.96 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -22.23 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.17 13.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 150.22 37.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.851 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.32 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 152.04 40.2 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.6 pt-20 -52.05 117.29 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -70.93 87.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.294 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.48 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.3 p -68.21 144.72 97.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.6 Cg_endo -74.95 -20.7 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.74 -13.41 32.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -56.87 -28.59 62.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.62 ' HB3' HD12 ' B' ' 21' ' ' ILE . 20.3 t80 -59.56 -14.11 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.38 131.63 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.836 HG11 ' HB1' ' A' ' 40' ' ' ALA . 76.9 t -110.21 132.52 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.5 m -69.75 117.76 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.5 pt-20 -78.64 55.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 24' ' ' GLU . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.429 ' CB ' HG21 ' A' ' 37' ' ' THR . 3.7 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.21 -115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -104.56 138.2 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.67 112.33 24.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.652 ' HB3' HG22 ' A' ' 65' ' ' VAL . 8.2 m -102.6 147.98 26.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.766 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -116.13 139.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.29 120.57 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -96.4 -45.98 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 9.3 m-85 -109.23 139.32 44.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -74.95 88.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 12.9 t80 -90.68 129.94 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -93.26 153.53 18.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.57 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . -40.31 124.9 2.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 ' CG ' ' A' ' 27' ' ' ASP . 14.5 t -112.52 -26.07 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.475 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.46 152.34 39.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -34.29 59.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -86.4 -20.71 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' A' ' 23' ' ' THR . 25.8 t0 -54.46 169.76 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -133.6 100.0 13.89 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -75.04 133.8 16.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 25.9 p90 -139.67 179.79 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.31 131.94 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 144.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.79 -21.83 39.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.3 147.87 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 0.808 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.6 137.16 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.52 154.01 49.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.4 m -111.46 134.44 53.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.384 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 50' ' ' ALA . 9.3 mm -66.58 138.02 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 51' ' ' LYS . 60.2 t -113.0 -33.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.98 160.83 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 42' ' ' THR . 88.8 t -101.92 167.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 41' ' ' VAL . 29.4 p -120.42 168.27 11.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.72 -36.21 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -92.34 147.67 34.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.694 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.04 -79.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 m120 -33.54 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 59' ' ' ILE . 9.5 m95 -84.69 127.05 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 108.058 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.694 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 90.0 m-85 -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.2 tttt -100.74 122.22 42.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.977 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -138.39 170.36 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HB3' HG21 ' A' ' 39' ' ' VAL . 10.7 ptmt -114.75 155.67 26.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 5.6 p-10 -97.04 179.32 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.3 tmtm? -69.42 -11.06 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.18 -9.53 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.26 83.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 34.3 ttt180 -70.13 147.58 49.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -115.98 122.65 45.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.605 ' HA3' HD23 ' A' ' 28' ' ' LEU . . . -155.77 171.49 33.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -97.29 146.02 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.756 HD13 HG11 ' A' ' 65' ' ' VAL . 2.2 pp -146.56 131.72 9.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.01 126.68 10.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.44 -14.25 4.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.78 -7.56 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.619 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 57.2 m-85 -127.75 -1.22 6.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 15' ' ' ILE . 15.0 p -144.12 146.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -122.45 155.44 36.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -85.09 110.66 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.738 ' CG ' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -39.16 -32.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.23 13.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo -75.03 124.56 8.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.99 150.39 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.86 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.4 175.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.07 155.82 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.641 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.5 OUTLIER -49.94 130.66 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.86 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -81.59 89.82 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.592 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.0 OUTLIER -82.54 137.89 44.61 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.0 Cg_endo -75.06 -22.39 14.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -64.31 -11.62 33.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 1.2 t -63.0 -27.75 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.516 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -59.44 -13.41 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -114.06 131.2 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.567 HG11 ' HB1' ' A' ' 40' ' ' ALA . 80.7 t -104.06 133.15 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.35 123.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.1 pt-20 -78.2 55.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -97.0 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -98.38 139.39 34.21 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 0.785 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 118.46 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HB3' HG22 ' A' ' 65' ' ' VAL . 10.5 m -98.29 140.89 31.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 108.352 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.889 HD13 HG23 ' A' ' 35' ' ' VAL . 8.3 mm -106.26 135.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.6 125.81 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.612 ' CE ' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -110.56 -42.99 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.612 ' CE1' ' CE ' ' A' ' 17' ' ' LYS . 7.2 m-30 -97.07 -175.27 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -119.98 72.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.635 1.21 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.7 t80 -83.3 115.74 22.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -89.24 41.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.629 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 59.69 145.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -110.75 -33.25 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.48 153.19 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.97 -24.86 59.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 tp60 -78.22 -20.57 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -77.79 -171.32 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.633 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -133.19 101.37 13.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 60' ' ' ILE . 10.1 p90 -141.06 173.27 11.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -115.28 146.98 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 108.366 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 141.6 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.81 -17.59 52.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.02 144.81 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.889 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.43 138.34 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.6 HD23 ' OD1' ' A' ' 52' ' ' ASN . 3.7 mp -130.09 157.67 41.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.0 m -116.12 131.39 56.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.078 HD13 ' HB2' ' A' ' 50' ' ' ALA . 34.3 mm -70.76 132.31 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.95 -31.7 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -168.58 156.21 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -99.37 160.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -111.0 169.76 8.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -37.3 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.08 153.06 43.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.654 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.91 -81.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 29.5 m-20 -33.04 -35.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.87 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.8 m95 -80.73 119.45 23.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 108.048 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 70.8 m-85 -136.63 141.85 43.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -94.15 121.89 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.078 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -135.48 171.46 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -125.2 157.82 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.633 ' OD1' HD13 ' A' ' 28' ' ' LEU . 2.8 m120 -96.5 177.42 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -10.91 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.86 -12.45 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.73 3.72 60.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.17 141.75 52.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -118.46 120.07 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -160.67 171.93 36.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.87 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.8 mp -95.41 144.75 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 4.4 tt -136.97 129.91 17.33 Favored Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.51 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 121.54 6.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -56.08 -16.65 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -63.0 -10.31 13.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 51.9 m-85 -125.88 -4.72 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.668 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.4 p -144.76 146.22 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -111.05 157.2 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 113.69 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -22.66 60.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.389 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.245 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 174.28 13.05 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.9 153.39 42.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -75.02 150.4 38.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.867 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.43 175.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.93 155.13 43.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.694 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.4 OUTLIER -50.32 135.66 21.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.867 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -86.57 74.58 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.55 HG22 ' HG3' ' B' ' 14' ' ' GLU . 6.9 p -72.03 140.89 83.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -75.0 -19.88 17.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -13.19 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.72 -26.14 66.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.6 -11.65 12.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -113.82 132.04 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.432 HG11 ' HB1' ' A' ' 40' ' ' ALA . 71.9 t -101.08 128.96 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.423 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.5 m -66.74 129.48 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.5 pt-20 -78.4 55.92 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' B' ' 24' ' ' GLU . 28.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 -17.48 4.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -84.8 136.55 33.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 0.821 . . . . 0.0 110.379 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -106.96 124.02 49.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HB2' HG22 ' A' ' 65' ' ' VAL . 29.5 p -107.77 141.39 39.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.985 HD13 HG23 ' A' ' 35' ' ' VAL . 3.7 mm -111.07 128.39 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.398 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -82.87 128.7 34.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HE2' ' CE2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -110.72 -36.76 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 17' ' ' LYS . 60.0 m-85 -89.91 162.99 15.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -103.19 81.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 16.8 t80 -97.77 120.53 38.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' GLY . 78.3 m-70 -89.23 37.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 55.4 163.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -117.65 -34.75 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -20.91 54.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -77.02 -21.11 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.523 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.87 -170.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.847 HD13 ' OD1' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -132.47 99.89 15.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.78 13.61 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.8 p90 -140.38 -179.98 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -118.49 131.31 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' CYS . 15.9 pttp -39.69 128.74 2.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.12 -13.25 52.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -75.46 151.91 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.985 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD23 ' OD1' ' A' ' 52' ' ' ASN . 1.1 mp -131.76 151.82 51.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.439 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -113.46 131.23 56.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.366 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.941 HD13 ' HB2' ' A' ' 50' ' ' ALA . 28.4 mm -67.79 133.51 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.0 t -110.85 -30.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.8 154.21 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.231 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.5 158.39 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 p -109.4 167.06 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -44.71 -35.78 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.722 ' OD1' HG21 ' B' ' 16' ' ' THR . 1.1 m-20 -92.61 151.85 41.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.02 -82.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 3.1 m120 -32.99 -35.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.815 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -81.92 119.39 23.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 58.7 m-85 -135.56 144.33 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.66 122.51 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.941 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -137.3 169.95 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 3.4 pttt -119.27 157.86 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.847 ' OD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-20 -95.2 176.98 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -10.91 60.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.2 -13.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.74 1.72 60.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.96 118.77 33.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -157.78 168.44 34.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.589 1.18 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.815 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.5 mp -95.56 146.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.93 HD12 HG11 ' A' ' 65' ' ' VAL . 1.3 pt -144.82 129.97 9.32 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.586 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 127.74 10.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.04 -15.76 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -13.25 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 11.0 m-85 -121.49 -9.08 9.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.93 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.81 145.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -103.04 153.8 19.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 115.79 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -24.37 6.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.27 13.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 121.49 6.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.91 150.36 38.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.871 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.05 174.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 153.47 42.02 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.501 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.6 pt-20 -50.54 120.72 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 89.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.722 HG21 ' OD1' ' A' ' 44' ' ' ASP . 4.2 p -75.81 136.99 69.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.47 11.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -66.02 -9.38 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -66.08 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 26' ' ' GLN . 2.7 m-85 -59.78 -13.87 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.544 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -114.68 131.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 40' ' ' ALA . 75.9 t -102.32 132.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.9 m -66.79 117.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.8 pt-20 -78.67 55.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.32 -116.53 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -102.98 139.37 38.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.7 111.79 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -96.69 142.25 28.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 35' ' ' VAL . 13.5 mm -114.8 130.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.751 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -79.55 136.89 36.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 -42.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 54.0 m-85 -109.53 155.33 21.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -96.42 82.65 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 20.1 t80 -78.34 119.24 21.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.13 -55.83 29.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.57 157.37 7.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -125.53 -36.75 2.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.68 157.63 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.21 -22.63 65.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.994 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -83.19 -13.18 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -76.45 150.93 36.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.5 pp -123.6 109.08 30.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.58 34.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 5.7 p90 -138.94 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.8 132.33 55.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.9 140.19 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.78 -20.18 51.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.51 151.38 37.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.63 137.77 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -130.73 153.13 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.14 125.78 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 50' ' ' ALA . 39.1 mm -67.38 134.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.1 t -112.92 -29.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -166.45 159.04 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 42' ' ' THR . 74.7 t -106.27 167.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 41' ' ' VAL . 18.3 p -115.43 172.09 7.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -72.99 -11.01 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.6 m-20 -91.98 166.53 17.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.03 -81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.567 ' CG ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 m-20 -75.52 52.51 0.64 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 23.6 m95 -142.71 119.59 11.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 28.1 m-85 -150.99 140.16 21.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 22.2 tttp -94.11 122.0 36.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.926 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -132.71 169.65 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -121.0 157.3 30.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 56' ' ' ARG . 11.8 p30 -100.84 179.43 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -9.85 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.7 t -82.91 -13.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.47 -3.91 69.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -70.36 145.75 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -123.85 126.33 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.66 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -159.21 174.77 36.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.994 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -96.45 150.53 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 HG11 ' A' ' 65' ' ' VAL . 14.3 pt -145.03 133.16 10.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -74.93 124.02 8.35 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.567 ' HB3' ' CG ' ' A' ' 46' ' ' ASN . . . -56.17 -17.73 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.62 -12.54 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 26.3 m-85 -126.39 -2.73 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 60' ' ' ILE . 2.6 p -144.16 146.22 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.45 152.93 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.91 111.99 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -27.49 69.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.8 4.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.66 38.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.815 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.76 174.7 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.6 Cg_endo -74.94 151.01 39.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.547 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.7 pt-20 -53.78 122.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.4 88.39 3.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.603 HG23 ' OD2' ' A' ' 44' ' ' ASP . 42.9 p -76.78 146.92 77.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -74.99 -18.25 18.91 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.819 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 1.1 mp0 -62.53 -12.93 25.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -57.24 -30.41 64.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -57.41 -15.33 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.461 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.9 mp -113.79 131.3 66.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 69.3 t -94.52 133.06 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.7 m -77.22 128.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 7.9 pt-20 -78.44 55.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.476 ' HB3' HG21 ' A' ' 37' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.79 -106.26 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 p -105.12 131.42 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -110.63 126.23 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 25.5 m -104.07 148.95 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.814 HD13 HG23 ' A' ' 35' ' ' VAL . 10.5 mm -113.13 130.28 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.66 135.5 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.212 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.68 -43.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.6 m-85 -88.34 127.66 35.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -77.31 108.25 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.3 t80 -118.94 139.23 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -101.22 29.9 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.655 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 29' ' ' PRO . . . 65.52 141.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.605 HG21 HD11 ' B' ' 12' ' ' LEU . 7.4 t -120.22 -32.39 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.08 144.54 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.94 -27.61 61.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.832 ' O ' HD12 ' A' ' 59' ' ' ILE . 14.8 mt-30 -81.66 -21.25 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.04 153.71 32.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.926 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -122.18 117.15 29.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.93 144.62 30.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.931 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 15.1 p90 -139.66 174.16 10.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' LYS . 7.6 m -113.71 127.78 56.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.245 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' CYS . 11.8 pttt -37.26 126.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.03 -14.44 28.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 151.6 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.814 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.01 137.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 ' CD2' HD11 ' A' ' 28' ' ' LEU . 2.2 mp -131.72 130.84 42.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 9.3 m -93.62 131.53 38.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.16 130.76 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.834 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.8 t -113.34 -33.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' CE ' ' A' ' 49' ' ' LYS . . . -169.32 159.85 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 48' ' ' TYR . 94.4 t -104.26 158.13 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 p -102.47 172.3 6.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -43.61 -38.45 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.76 155.09 39.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.653 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.84 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.503 1.791 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' PRO . 5.1 m120 -31.48 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.791 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.8 m95 -82.55 120.22 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 72.0 m-85 -136.76 144.1 43.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.726 ' CE ' ' HB3' ' A' ' 40' ' ' ALA . 19.9 ttpt -98.72 121.95 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.74 170.16 15.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' VAL . 11.8 mtpp -116.44 156.01 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' OD1' HD22 ' A' ' 28' ' ' LEU . 15.7 m120 -95.16 171.5 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -11.54 60.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.7 t -84.75 -12.66 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.97 52.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER -84.2 150.5 25.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.49 125.31 49.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.361 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.862 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -162.71 166.08 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.6 mp -96.28 150.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.869 HD12 HG11 ' A' ' 65' ' ' VAL . 6.7 pt -144.11 136.28 13.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.93 127.42 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -62.65 -23.05 66.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -71.56 -0.52 10.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 18' ' ' TYR . 4.1 m-85 -121.09 -8.15 9.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.869 HG11 HD12 ' A' ' 60' ' ' ILE . 1.7 m -143.95 168.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.526 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -135.86 136.45 40.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 111.44 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' CG ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -61.09 -24.96 66.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.238 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 8' ' ' ILE . 18.4 Cg_endo -75.0 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo -75.0 130.25 13.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.6 Cg_endo -74.9 151.23 39.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.693 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -47.7 175.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 155.76 42.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.757 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.3 OUTLIER -51.58 140.06 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.757 HH21 ' HA ' ' B' ' 14' ' ' GLU . 0.3 OUTLIER -91.79 88.28 6.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.594 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -81.23 142.28 50.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.368 1.042 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 17.9 Cg_endo -75.08 -18.62 18.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -63.02 -12.14 23.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD12 ' B' ' 21' ' ' ILE . 27.6 t80 -60.75 -12.67 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -115.33 132.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.595 HG11 ' HB1' ' A' ' 40' ' ' ALA . 96.5 t -103.97 124.69 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 23' ' ' VAL . 1.6 m -66.5 128.51 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 25' ' ' GLU . 6.6 pt-20 -78.48 56.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.3 tm-20 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA3' ' CG2' ' A' ' 37' ' ' THR . . . -131.0 93.13 0.3 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' THR . 80.8 p -65.35 138.13 57.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -80.81 114.59 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -100.34 135.51 41.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 HG23 ' A' ' 35' ' ' VAL . 2.1 mm -106.93 128.76 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 139.23 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -44.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 20.2 m-85 -111.4 132.9 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -79.84 102.15 8.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.648 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 39.8 t80 -106.09 126.46 52.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 32.6 t-80 -71.06 167.92 18.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.643 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG ' ' A' ' 21' ' ' HIS . . . -72.33 139.47 28.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.653 1.221 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.447 HG21 HD11 ' B' ' 12' ' ' LEU . 8.7 t -116.84 -31.78 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.11 50.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -55.29 -36.98 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' ILE . 4.3 mt-30 -77.01 -20.46 55.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -78.57 141.19 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.03 119.84 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.54 23.07 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.778 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -136.9 149.85 47.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -96.35 146.52 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 149.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.7 -26.67 11.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.427 1.08 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.01 140.34 54.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.47 137.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 35' ' ' VAL . 4.6 mp -131.88 143.19 49.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.729 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 46.7 m -97.98 136.66 37.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.27 135.01 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.9 t -115.15 -35.68 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -171.6 161.42 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 42' ' ' THR . 84.8 t -102.46 168.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.545 ' N ' HG12 ' A' ' 41' ' ' VAL . 11.8 p -124.31 172.32 9.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE3' ' CG1' ' B' ' 23' ' ' VAL . 0.0 OUTLIER -75.11 -15.25 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -91.86 151.38 42.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 163.4 35.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER 37.92 31.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.761 ' CE3' HG22 ' A' ' 59' ' ' ILE . 12.4 m95 -126.64 121.08 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 24.1 m-85 -150.66 139.86 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 8.8 tttm -91.9 122.08 34.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -130.7 170.06 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -122.72 157.33 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' CB ' HG22 ' A' ' 54' ' ' VAL . 33.9 m-80 -97.58 176.93 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 56' ' ' ARG . 5.0 m -83.85 -13.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.44 1.49 59.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.31 149.76 47.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -129.6 132.96 46.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -171.2 174.19 44.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.3 mp -98.97 146.31 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.709 HD13 HG11 ' A' ' 65' ' ' VAL . 1.9 pp -145.38 134.76 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.0 Cg_endo -75.06 124.02 8.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.756 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -62.54 -12.0 19.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -11.94 14.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.648 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 58.4 m-85 -126.9 -0.62 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.6 p -142.89 146.08 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 154.78 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -100.4 116.9 33.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.75 65.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.419 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.4 Cg_endo -74.88 174.39 12.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 154.32 42.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.817 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.0 Cg_endo -74.98 150.67 38.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.778 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.94 175.44 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.65 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.08 151.02 38.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' B' ' 16' ' ' THR . 1.5 pt-20 -53.94 145.07 17.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.432 ' NH2' ' OG ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -95.38 89.97 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.475 HG23 ' OD2' ' A' ' 44' ' ' ASP . 1.3 p -73.99 147.38 86.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.454 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.94 -21.28 16.15 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.513 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.65 -12.24 32.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.432 ' OG ' ' NH2' ' B' ' 15' ' ' ARG . 15.8 p -59.18 -30.19 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.583 ' HB3' HD12 ' B' ' 21' ' ' ILE . 4.7 t80 -56.24 -16.12 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.6 mp -111.01 130.93 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.437 HG11 ' HB1' ' A' ' 40' ' ' ALA . 28.3 t -105.95 120.8 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 43' ' ' LYS . 1.1 m -66.61 129.44 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' GLU . 11.9 pt-20 -78.19 56.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.4 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.208 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.633 ' HB3' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.09 -100.12 0.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -89.92 139.46 30.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.455 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.85 127.6 44.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.212 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.3 m -100.59 156.38 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 10.4 mm -119.24 133.59 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -77.78 126.74 31.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 -44.39 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 22.2 m-85 -106.35 134.31 49.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -74.32 79.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.613 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 6.1 t80 -77.6 108.98 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.94 -47.61 80.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.15 149.48 5.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 -34.17 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -132.44 144.34 50.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.13 -13.61 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.776 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.83 -15.1 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -62.98 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -134.75 98.38 13.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -140.77 177.55 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.9 m -122.99 137.3 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 108.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.68 138.36 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.29 -21.23 46.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.62 147.88 39.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.34 136.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -131.57 157.43 43.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.633 HG22 ' HB3' ' A' ' 10' ' ' SER . 1.0 OUTLIER -108.34 128.59 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.911 HD11 ' HB3' ' A' ' 48' ' ' TYR . 4.5 tp -68.46 138.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -109.15 -35.83 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.221 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -176.37 161.8 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.651 HG22 ' HD1' ' A' ' 48' ' ' TYR . 96.9 t -95.26 163.57 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' HG12 ' A' ' 41' ' ' VAL . 41.3 p -110.63 173.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' B' ' 18' ' ' GLU . 2.4 mptp? -60.53 -24.16 65.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.522 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -91.18 158.27 41.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.636 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.04 -66.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -75.87 42.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.671 ' CE3' HG22 ' A' ' 59' ' ' ILE . 30.2 m95 -144.93 127.98 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.911 ' HB3' HD11 ' A' ' 38' ' ' ILE . 80.5 m-85 -153.56 138.84 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 4.6 tttt -92.33 120.87 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.993 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -132.04 170.39 15.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 1.6 ptmm? -123.26 157.17 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.5 175.83 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -11.68 60.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 13.8 m -84.45 -10.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.64 59.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -70.45 150.87 45.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.301 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.86 125.46 30.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -166.24 171.62 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.564 1.165 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -95.89 144.75 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.638 ' CD1' HG11 ' A' ' 65' ' ' VAL . 14.7 pt -139.83 138.65 20.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.01 125.93 9.64 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -58.97 -19.55 44.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.91 -4.5 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.613 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 60.4 m-85 -127.2 -3.85 6.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 60' ' ' ILE . 14.4 p -144.44 147.1 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -117.73 156.89 27.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.37 116.62 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -21.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.249 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 110.292 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 174.44 12.78 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.548 1.815 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.1 Cg_endo -75.08 146.46 32.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.812 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 150.04 37.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.897 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 148.48 35.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.7 pt-20 -51.19 117.36 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.693 HH12 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -67.85 95.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.438 ' H ' HG23 ' B' ' 16' ' ' THR . 1.3 p -78.9 145.42 65.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.2 Cg_endo -75.03 -13.29 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -61.46 -12.86 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -30.66 62.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.5 OUTLIER -58.07 -14.99 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.29 132.09 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 43.3 t -93.46 124.16 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -66.79 117.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.53 55.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.0 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.435 ' N ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.39 -74.47 0.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.408 HG21 ' HZ3' ' A' ' 67' ' ' LYS . 72.4 p -84.08 139.18 32.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 135.98 53.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' O ' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.26 139.15 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 108.344 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 15' ' ' ILE . 3.7 mp -109.11 129.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -80.09 136.3 36.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -43.1 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 25.3 m-85 -111.39 128.72 56.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -82.55 98.78 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -114.63 119.23 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 179.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.52 145.5 21.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.444 HG21 HD11 ' B' ' 12' ' ' LEU . 9.1 t -117.08 -34.45 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' A' ' 27' ' ' ASP . . . -120.69 148.64 43.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.64 -30.71 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 59' ' ' ILE . 29.0 mt-30 -81.08 -22.01 39.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 5.8 m-20 -79.62 149.34 31.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 58' ' ' GLY . 1.4 pp -126.84 124.75 24.14 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.04 29.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 17.2 p90 -134.67 166.33 23.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LYS . 1.4 m -112.2 127.51 55.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.71 145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.1 -25.37 25.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 38.1 m-20 -75.58 134.86 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG23 HG13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -110.97 136.29 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.13 175.2 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 10' ' ' SER . 1.4 m -117.48 131.37 56.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.433 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.847 HD13 ' HB2' ' A' ' 50' ' ' ALA . 33.2 mm -68.01 137.85 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.656 HG21 ' CD ' ' A' ' 51' ' ' LYS . 35.7 t -105.86 -33.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.81 162.5 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 48' ' ' TYR . 20.2 t -102.66 162.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 48' ' ' TYR . 24.1 p -106.26 172.5 6.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.7 OUTLIER -63.89 -35.42 80.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.07 146.98 32.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.172 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.07 163.09 35.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 12.7 t30 66.54 3.8 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CE3' HG22 ' A' ' 59' ' ' ILE . 5.8 m95 -122.46 116.61 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.727 ' CD1' HG22 ' A' ' 41' ' ' VAL . 20.0 m-85 -147.58 143.67 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 30.8 ttpt -93.24 120.61 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.847 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -133.42 169.58 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' CD ' HG21 ' A' ' 39' ' ' VAL . 11.3 mtpp -120.66 154.37 35.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' CB ' HG22 ' A' ' 54' ' ' VAL . 7.7 m-20 -92.91 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -11.48 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 52' ' ' ASN . 29.8 m -84.19 -10.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.06 21.15 31.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.525 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.95 153.88 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.01 128.08 41.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.746 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -174.79 167.79 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -94.84 149.88 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 28' ' ' LEU . 39.1 pt -145.54 134.68 11.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.594 ' HA ' ' O ' ' A' ' 46' ' ' ASN . 18.3 Cg_endo -75.03 121.62 6.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.793 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -54.27 -14.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -58.89 -15.46 12.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 57.4 m-85 -128.3 0.35 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG13 ' HA ' ' A' ' 62' ' ' ALA . 3.2 p -143.46 146.18 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.9 156.24 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HZ3' HG21 ' A' ' 12' ' ' THR . 11.5 ttpp -107.55 119.52 39.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -61.26 -29.55 69.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 174.4 12.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.6 Cg_endo -74.97 152.43 40.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.3 Cg_endo -74.96 149.82 37.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.898 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.31 175.46 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' B' ' 12' ' ' LEU . 18.1 Cg_endo -75.16 152.0 39.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.463 ' HG3' HG22 ' B' ' 16' ' ' THR . 0.8 OUTLIER -54.13 135.46 43.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 82.88 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.463 HG22 ' HG3' ' B' ' 14' ' ' GLU . 11.9 p -67.01 141.42 96.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.466 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 6.2 mm-40 -61.38 -13.08 17.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.2 p -56.51 -30.69 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.515 ' HB3' HD12 ' B' ' 21' ' ' ILE . 1.3 t80 -57.75 -15.25 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -113.42 132.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 89.9 t -101.99 117.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.0 m -66.68 117.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.67 55.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.16 4.44 7.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.422 1.076 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' ILE . 3.3 p -89.26 133.04 34.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.356 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -122.44 124.59 43.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.989 ' SG ' HD11 ' A' ' 38' ' ' ILE . 55.7 m -96.56 147.91 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.872 HD11 ' HB3' ' A' ' 68' ' ' ARG . 1.5 mp -109.65 131.58 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.0 124.02 26.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -95.94 -43.19 7.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 17' ' ' LYS . 14.2 m-85 -110.21 161.37 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -96.55 84.61 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 3.5 t80 -78.11 131.73 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -90.52 26.0 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' HIS . . . 58.9 149.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 HD11 ' B' ' 12' ' ' LEU . 5.1 t -121.75 -34.88 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.34 144.07 48.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.078 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.9 -17.19 35.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -85.22 -20.61 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.2 165.19 23.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 12.6 mt -115.71 106.46 50.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -140.57 179.07 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -122.81 144.07 49.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.84 137.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.72 -18.05 55.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -74.71 137.94 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.05 138.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.3 mp -129.67 150.38 51.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -106.41 130.26 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.989 HD11 ' SG ' ' A' ' 14' ' ' CYS . 4.9 mp -69.63 134.26 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG21 ' HG3' ' A' ' 51' ' ' LYS . 2.8 t -123.22 -36.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -157.02 157.28 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 42' ' ' THR . 99.2 t -107.92 168.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.565 ' N ' HG12 ' A' ' 41' ' ' VAL . 14.5 p -115.25 169.4 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' CB ' ' HB2' ' B' ' 18' ' ' GLU . 7.7 tptp -45.33 -35.9 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.36 154.55 42.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.668 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.97 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.557 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 12.1 m120 -33.37 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.796 ' CE3' HG22 ' A' ' 59' ' ' ILE . 7.0 m95 -80.56 121.09 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 63.4 m-85 -138.62 145.47 40.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 1.173 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 2.1 ttmm -99.51 122.99 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.44 170.37 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 57' ' ' GLU . 26.6 mtmt -117.57 158.13 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 28' ' ' LEU . 3.0 m-20 -98.15 169.54 9.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -11.28 60.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 52' ' ' ASN . 28.3 m -84.1 -12.87 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.29 13.95 34.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.5 mmt180 -82.24 152.04 26.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 1.4 pt-20 -136.41 129.32 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.187 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -172.92 -163.76 27.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -108.22 151.39 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.846 HD12 HG11 ' A' ' 65' ' ' VAL . 21.2 pt -143.33 129.46 10.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 122.27 7.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.557 1.819 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -57.82 -20.36 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.36 -7.16 17.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 28.9 m-85 -125.28 -5.65 7.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 60' ' ' ILE . 7.6 p -144.66 149.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -115.33 160.07 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -93.97 114.95 27.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HB3' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -49.76 -32.02 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.4 1.063 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.5 12.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.95 154.79 42.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.94 150.69 38.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.898 HD21 ' CZ ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -48.59 175.85 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 155.11 42.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.706 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.1 pt-20 -52.53 137.83 29.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.898 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -88.33 86.6 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.567 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.2 p -81.32 144.04 53.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.02 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.491 ' HB2' ' CB ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -62.08 -13.03 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p -58.51 -31.58 68.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.534 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -55.8 -16.87 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.7 mp -112.09 131.61 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.409 HG11 ' HB1' ' A' ' 40' ' ' ALA . 54.0 t -103.51 125.27 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.416 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.4 m -66.65 117.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.8 pt-20 -78.65 55.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 24' ' ' GLU . 24.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.96 -71.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -85.5 139.39 31.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -106.71 131.01 54.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 60' ' ' ILE . 17.4 p -115.58 151.67 34.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 35' ' ' VAL . 4.5 mp -117.05 135.6 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' LYS . . . -79.18 125.24 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.4 -43.6 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 51.5 m-85 -97.32 130.53 44.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -75.48 109.28 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -108.89 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -91.04 29.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 135.39 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.601 ' HB ' ' CE1' ' A' ' 20' ' ' PHE . 8.0 t -114.42 -29.64 6.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.441 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.63 151.73 49.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.85 -28.23 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 59' ' ' ILE . 38.4 mt-30 -81.88 -19.51 40.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.63 158.31 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 HD21 ' A' ' 36' ' ' LEU . 2.3 pp -126.7 112.56 22.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.4 30.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.5 -171.35 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LYS . 51.5 m -122.07 129.06 52.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' CYS . 12.2 pttt -39.14 130.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.32 -18.2 30.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -75.63 145.84 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.93 137.83 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 28' ' ' LEU . 3.9 mp -130.81 142.01 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 127.03 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.33 136.96 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 78.5 t -113.79 -33.88 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -166.51 161.54 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 48' ' ' TYR . 48.9 t -103.1 152.77 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' HA ' ' A' ' 48' ' ' TYR . 18.2 p -98.23 173.81 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -14.36 62.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.61 ' OD2' HG23 ' B' ' 16' ' ' THR . 1.7 m-20 -91.9 166.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.97 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -75.05 49.94 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.4 m95 -142.53 121.94 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.058 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.766 ' CD1' HG13 ' A' ' 41' ' ' VAL . 37.0 m-85 -151.33 139.3 20.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 25.6 tttm -90.63 121.64 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.88 170.68 13.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.383 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -120.73 157.58 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.49 ' HB2' HG22 ' A' ' 54' ' ' VAL . 14.8 m120 -91.98 172.57 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -12.21 61.33 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.461 1.101 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 52' ' ' ASN . 26.3 m -85.78 -13.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.75 13.83 36.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -76.27 150.54 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.12 121.42 34.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.716 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.13 169.89 39.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.9 mp -95.88 151.82 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 65' ' ' VAL . 10.7 pt -143.85 131.99 10.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 122.44 7.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -59.19 -21.4 59.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.543 1.152 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -71.24 -1.03 11.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 10.7 m-85 -126.42 -1.73 6.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -144.18 162.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.24 133.84 55.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.33 111.9 20.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -27.76 39.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.28 13.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.2 Cg_endo -75.1 148.9 35.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -74.96 150.16 37.94 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.869 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.59 175.15 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.604 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 149.48 36.74 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.527 1.804 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.458 ' HG3' HG22 ' B' ' 16' ' ' THR . 3.4 pt-20 -57.55 125.14 21.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.569 HH12 ' NE2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -72.03 85.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.61 HG23 ' OD2' ' A' ' 44' ' ' ASP . 14.3 p -66.37 147.34 98.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.94 -16.53 20.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.28 -12.32 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -56.39 -30.91 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.943 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.633 ' HB3' HD12 ' B' ' 21' ' ' ILE . 18.8 t80 -57.89 -15.73 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.8 mp -115.48 131.04 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.505 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 20.5 t -90.78 122.19 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 m -65.19 123.71 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 25' ' ' GLU . 8.8 pt-20 -78.27 54.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 24' ' ' GLU . 8.8 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 37' ' ' THR . 15.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.24 -76.15 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 p -92.43 139.77 30.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -116.1 132.06 56.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.592 ' HB3' HG22 ' A' ' 65' ' ' VAL . 3.4 m -105.45 149.79 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.9 mp -110.91 131.97 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -78.73 136.58 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -43.6 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 17.1 m-85 -112.05 128.54 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -74.6 100.49 3.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 61' ' ' PRO . 39.3 t80 -102.7 176.97 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.426 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -114.17 -80.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.639 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.52 161.15 10.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.725 HG21 HD11 ' B' ' 12' ' ' LEU . 4.0 p -114.62 -38.13 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.5 158.01 16.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -68.13 -10.16 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.973 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -97.04 -14.28 21.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' OD2' ' CH2' ' A' ' 47' ' ' TRP . 5.0 m-20 -76.03 130.17 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -120.38 119.39 30.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' HIS . 18.3 Cg_endo -74.99 155.21 42.94 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.683 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 7.6 p90 -122.41 -179.73 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.52 131.64 56.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.277 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 133.19 9.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.77 -15.38 63.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -75.76 151.34 37.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.58 138.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 60' ' ' ILE . 3.9 mp -129.55 150.35 50.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.674 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.8 m -107.37 135.74 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.643 HD13 ' HE2' ' A' ' 67' ' ' LYS . 2.1 tp -68.99 135.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 76.6 t -113.26 -34.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.96 161.14 2.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.67 160.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.461 HG23 ' HA ' ' A' ' 48' ' ' TYR . 22.3 p -112.97 171.45 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -76.13 -4.46 41.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' OD1' ' OG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER -100.05 157.64 33.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 158.46 42.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.778 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER 33.5 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 8.9 m95 -129.8 116.95 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.05 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 46' ' ' ASN . 1.4 m-85 -149.2 148.22 29.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.1 ttpt -93.27 122.28 35.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.85 170.16 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.94 157.39 34.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -95.95 174.28 7.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -10.97 60.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.33 -13.29 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 4.79 56.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.29 148.0 49.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -126.89 130.65 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.767 ' N ' HD23 ' A' ' 28' ' ' LEU . . . -178.11 173.68 46.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.973 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.03 147.56 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 HG11 ' A' ' 65' ' ' VAL . 32.9 pt -136.63 131.25 18.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -56.63 -17.11 7.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -11.06 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 33.4 m-85 -127.06 -1.27 6.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 15' ' ' ILE . 2.7 p -142.93 145.26 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.66 154.67 23.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.35 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -96.92 115.48 27.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -41.01 -32.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 150.56 38.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.872 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.47 175.25 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 153.72 41.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CG2' ' B' ' 16' ' ' THR . 8.1 pm0 -53.37 144.36 16.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 70.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.526 ' CG2' ' HG3' ' B' ' 14' ' ' GLU . 80.7 p -66.06 147.32 98.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -11.8 21.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . 2.7 mp0 -62.93 -11.79 20.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -59.34 -29.68 67.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.462 ' C ' HD12 ' B' ' 21' ' ' ILE . 28.4 t80 -57.66 -14.64 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.564 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -113.63 130.79 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.49 125.55 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.415 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.2 m -66.84 116.84 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.6 pt-20 -78.65 56.19 1.8 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 24' ' ' GLU . 19.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.59 -99.9 0.29 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -103.37 139.66 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.45 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 1.4 mm-40 -104.37 130.96 52.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.634 ' HB3' HG22 ' A' ' 65' ' ' VAL . 7.4 m -107.6 148.52 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.806 HD13 HG23 ' A' ' 35' ' ' VAL . 40.2 mm -110.57 132.06 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.837 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.17 125.71 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -44.75 3.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 54.1 m-85 -104.05 132.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.29 95.92 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 4.5 t80 -86.28 136.78 33.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -53.66 6.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.654 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.99 137.78 3.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -120.27 -31.36 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.8 143.53 50.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -19.97 49.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.739 ' O ' HD12 ' A' ' 59' ' ' ILE . 31.5 mt-30 -82.97 -21.83 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.02 146.88 31.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.907 HD23 ' CA ' ' A' ' 58' ' ' GLY . 1.9 pp -117.42 113.45 38.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.54 33.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.837 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 5.4 p90 -139.24 -176.26 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -122.71 133.6 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -39.39 135.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.43 -15.3 58.92 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.47 144.86 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.806 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.98 135.91 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.0 mm? -125.67 160.13 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.65 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 m -115.19 128.46 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.1 mm -66.71 131.62 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 77.3 t -114.24 -34.8 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.589 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -166.92 161.19 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 48' ' ' TYR . 15.5 t -103.69 149.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 47' ' ' TRP . 11.6 p -97.3 172.84 7.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -24.59 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -91.5 153.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -75.06 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.506 1.793 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' B' ' 13' ' ' PRO . 87.3 m-20 -80.82 41.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CE3' HG22 ' A' ' 59' ' ' ILE . 26.5 m95 -146.95 127.04 13.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 107.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 91.2 m-85 -150.23 137.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 10.4 ttpt -95.04 120.91 36.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.392 1.057 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -132.22 170.09 15.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -119.93 150.9 39.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' HB2' HG22 ' A' ' 54' ' ' VAL . 3.7 m-20 -86.04 174.4 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -71.88 -11.12 60.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 56' ' ' ARG . 16.8 m -84.15 -11.43 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.5 10.93 55.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -79.06 151.82 31.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -127.43 127.01 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.907 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -164.69 170.92 39.99 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.786 ' H ' HD12 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -99.67 148.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.599 HD12 HG11 ' A' ' 65' ' ' VAL . 6.6 pt -143.43 141.22 18.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.2 Cg_endo -75.06 131.09 13.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.552 1.817 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 65' ' ' VAL . . . -60.83 -28.47 68.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -3.08 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 7.9 m-85 -120.53 -12.03 8.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 14' ' ' CYS . 2.5 p -145.11 145.37 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -109.06 154.78 21.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.5 117.08 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -23.95 51.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.1 Cg_endo -75.04 174.35 12.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.14 42.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.06 150.54 38.07 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.848 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.34 175.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' CB ' ' A' ' 46' ' ' ASN . 18.2 Cg_endo -75.05 148.68 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' B' ' 16' ' ' THR . 4.2 pt-20 -54.76 120.62 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.58 ' HG2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -77.27 90.38 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.563 HG22 ' HG3' ' B' ' 14' ' ' GLU . 30.7 p -79.11 147.86 70.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.4 Cg_endo -74.95 -18.84 18.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -12.36 21.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.509 ' CB ' HH21 ' B' ' 15' ' ' ARG . 89.6 p -56.09 -31.29 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.405 ' HB3' HD12 ' B' ' 21' ' ' ILE . 0.1 OUTLIER -56.5 -16.45 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.479 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -112.48 131.9 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.589 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.9 t -101.19 125.94 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.438 HG22 ' H ' ' B' ' 23' ' ' VAL . 2.7 m -68.72 118.29 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.7 pt-20 -78.61 55.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 24' ' ' GLU . 2.5 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.541 ' HB3' HG21 ' A' ' 37' ' ' THR . 29.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.14 -115.79 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 38' ' ' ILE . 25.0 p -102.63 140.8 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.09 121.69 43.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.593 ' HB3' HG22 ' A' ' 65' ' ' VAL . 2.3 m -96.93 142.56 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.67 HD11 ' HB2' ' A' ' 68' ' ' ARG . 1.1 mp -118.73 132.15 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -79.99 125.18 29.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -51.39 10.34 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 8.3 p90 -143.8 -172.61 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 18' ' ' TYR . 13.5 t-20 -73.42 150.0 42.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.625 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -124.41 -51.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 111.061 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 19.0 t60 90.8 111.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.65 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' HIS . . . -36.79 131.66 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 HD11 ' B' ' 12' ' ' LEU . 13.1 t -111.93 -25.68 9.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.492 0.76 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.03 147.38 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.67 -18.37 30.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.648 ' O ' HD12 ' A' ' 59' ' ' ILE . 38.9 mt-30 -88.53 -20.51 24.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 1.6 t70 -78.8 156.37 28.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 HD22 ' A' ' 52' ' ' ASN . 61.2 mt -119.68 100.49 49.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.54 20.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -138.4 -174.34 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.82 152.74 39.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -47.32 141.43 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -19.55 53.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.419 1.075 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -71.61 135.28 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -112.65 139.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 35' ' ' VAL . 6.6 mp -130.05 162.78 27.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -109.08 133.59 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -66.27 137.21 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 62.0 t -117.82 -35.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -175.45 159.61 2.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 42' ' ' THR . 63.3 t -97.21 164.92 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 41' ' ' VAL . 25.0 p -116.78 173.67 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.24 67.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.6 OUTLIER -91.54 154.74 44.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.627 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.98 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 41.8 m-20 -79.1 40.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.684 ' HE3' HG22 ' A' ' 59' ' ' ILE . 24.2 m95 -142.94 127.11 17.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 89.2 m-85 -153.01 140.62 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -93.76 122.48 36.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -134.1 168.39 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -118.86 155.9 30.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.216 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' A' ' 54' ' ' VAL . 14.5 m-80 -96.39 176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -9.96 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.1 p -83.46 -14.38 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 -2.57 56.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -69.47 150.36 47.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 0.715 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.65 132.05 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HG ' ' A' ' 28' ' ' LEU . . . -164.77 -161.15 13.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -111.4 150.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.894 HD12 HG11 ' A' ' 65' ' ' VAL . 7.0 pt -145.95 132.65 9.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.603 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.6 Cg_endo -74.98 120.83 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.79 -15.46 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -9.48 30.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 92.0 m-85 -126.3 -2.47 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 HD12 ' A' ' 60' ' ' ILE . 2.2 p -144.83 145.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -111.55 154.77 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 113.37 25.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.621 1.201 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.64 -24.93 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 174.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.749 . . . . 0.0 110.972 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.3 Cg_endo -75.0 148.21 34.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.551 1.817 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.1 Cg_endo -75.03 150.09 37.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.904 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -50.31 115.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -66.85 91.57 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.414 1.071 . . . . 0.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.44 ' H ' HG23 ' B' ' 16' ' ' THR . 1.6 p -73.29 146.15 86.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.96 20.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -15.92 58.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.478 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.9 p -56.76 -29.55 62.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.522 ' HB3' HD12 ' B' ' 21' ' ' ILE . 39.1 t80 -58.43 -14.83 8.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -114.13 131.73 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.532 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 21.6 t -89.59 118.73 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -65.93 115.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 25' ' ' GLU . 2.4 pt-20 -78.66 54.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . 26.5 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.62 -59.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -67.21 134.64 52.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 35' ' ' VAL . 1.2 tt0 -105.23 123.47 47.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HD11 ' A' ' 38' ' ' ILE . 19.0 m -96.24 137.36 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.347 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 HG23 ' A' ' 35' ' ' VAL . 19.0 mm -107.15 129.36 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -80.52 120.33 24.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' CD2' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -72.45 -49.45 33.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -151.26 -169.78 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -81.74 121.89 26.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.824 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 1.5 t80 -99.09 110.18 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -41.61 -44.99 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.04 152.39 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -119.7 -36.08 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.409 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.91 148.15 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.4 -13.72 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.783 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -87.8 -16.99 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -61.54 -169.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -134.33 100.65 12.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 133.47 16.53 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.638 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 10.6 p90 -139.33 178.75 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 57.3 m -119.15 142.54 47.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 18' ' ' TYR . 1.1 pttt -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.41 -5.9 84.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 17.1 t0 -74.96 147.77 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.682 HG22 ' HG2' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -112.8 137.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -131.4 155.03 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.504 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 m -114.91 132.91 56.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.048 HD13 ' HB2' ' A' ' 50' ' ' ALA . 40.3 mm -81.72 128.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.933 HG21 ' HD3' ' A' ' 51' ' ' LYS . 93.7 t -104.74 -34.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.38 131.58 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 48' ' ' TYR . 29.6 t -92.36 149.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 48' ' ' TYR . 30.1 p -87.52 174.97 8.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -28.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -100.97 152.51 37.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.695 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -75.01 -63.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.818 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 26.9 m-80 -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE3' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -105.55 114.84 29.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.849 ' OH ' ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -152.84 152.69 31.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.21 122.9 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.048 ' HB2' HD13 ' A' ' 38' ' ' ILE . . . -125.07 169.53 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.933 ' HD3' HG21 ' A' ' 39' ' ' VAL . 16.2 mtpt -125.51 155.96 39.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -100.75 176.29 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -12.72 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 15.5 m -85.4 -8.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.77 63.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.419 1.074 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -70.42 148.38 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' CG ' ' HG2' ' A' ' 51' ' ' LYS . 1.1 mt-10 -127.87 129.58 47.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 28' ' ' LEU . . . -174.98 171.03 44.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -96.7 146.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 36' ' ' LEU . 49.1 pt -135.2 128.43 18.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.538 ' CG ' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.97 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -60.35 -18.96 53.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -10.11 32.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 8.9 m-85 -126.53 -3.55 6.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -144.86 155.58 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.82 131.78 49.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 109.07 6.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 14.1 ptt180 -41.32 -31.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 33.7 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.229 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.16 13.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.397 1.735 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.97 132.4 15.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.4 Cg_endo -74.97 150.5 38.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.834 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.1 174.85 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 152.31 40.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.9 pt-20 -51.67 126.23 17.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.07 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 88.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.507 HG22 ' HG3' ' B' ' 14' ' ' GLU . 2.0 p -73.15 140.51 80.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.483 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.3 Cg_endo -75.04 -23.68 13.49 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.418 1.746 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.16 -12.31 19.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.48 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -57.0 -31.23 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' B' ' 21' ' ' ILE . 28.3 t80 -55.54 -15.85 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' B' ' 20' ' ' PHE . 3.9 mp -115.13 129.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.98 139.2 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -67.81 128.4 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.37 56.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' GLU . 1.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.466 ' HB2' HG21 ' A' ' 37' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.8 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.732 ' OG1' HD13 ' A' ' 38' ' ' ILE . 3.0 p -105.01 140.6 37.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 0.718 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.87 112.1 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -97.46 133.58 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.805 HD13 HG23 ' A' ' 35' ' ' VAL . 10.1 mm -107.24 130.88 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.55 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -77.54 128.37 34.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -42.32 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 45.3 m-85 -102.02 170.47 8.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -112.06 74.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 2.6 t80 -80.83 126.97 32.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -91.04 34.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' CA ' ' OD1' ' A' ' 27' ' ' ASP . . . 58.57 150.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.53 HG21 ' CD1' ' B' ' 12' ' ' LEU . 7.0 t -124.45 -34.0 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.05 149.71 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.3 -36.5 71.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 0.0 110.349 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.822 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.2 mm-40 -72.61 -21.41 61.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CA ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -79.95 151.24 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.838 HD23 ' CA ' ' A' ' 58' ' ' GLY . 2.3 pp -122.93 121.89 27.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 146.65 32.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 25.1 p90 -139.17 154.25 48.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.6 m -94.83 122.29 37.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -37.85 146.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.082 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 -24.71 28.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 31' ' ' CYS . 3.6 p-10 -75.19 155.72 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -111.78 139.29 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 60' ' ' ILE . 2.1 mt -128.2 139.04 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 10' ' ' SER . 3.8 m -101.82 134.49 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.732 HD13 ' OG1' ' A' ' 12' ' ' THR . 1.1 mp -65.87 133.74 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 73.8 t -106.7 -32.34 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' B' ' 22' ' ' VAL . . . -174.1 150.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 42' ' ' THR . 76.8 t -100.87 159.81 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' ASP . 2.8 p -123.01 173.72 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.55 5.5 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.619 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -89.61 161.33 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.578 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.99 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.856 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 75.0 m-20 -87.0 41.95 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.771 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.4 m95 -130.95 115.88 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 2.7 m-85 -143.95 151.09 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 13.4 tttt -95.85 121.65 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -131.17 169.58 15.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 48.9 pttt -119.42 157.19 28.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.537 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.49 179.45 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -70.07 -10.66 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG2' ' HE2' ' A' ' 53' ' ' LYS . 46.8 t -83.67 -11.83 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.26 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.0 OUTLIER -71.13 149.06 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.231 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' A' ' 51' ' ' LYS . 11.1 mp0 -119.55 128.24 53.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.838 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -166.23 170.55 40.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mp -96.56 146.45 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 36' ' ' LEU . 38.2 pt -137.7 136.11 19.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.08 122.72 7.35 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 46' ' ' ASN . . . -57.56 -18.21 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.95 -8.43 22.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.689 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 19.5 m-85 -127.1 -1.59 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.2 p -143.87 146.63 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -113.93 157.23 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.42 114.62 28.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -50.97 -23.72 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.242 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 174.26 13.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . 18.4 Cg_endo -74.93 136.24 20.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 10' ' ' PRO . 18.2 Cg_endo -75.01 150.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.86 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.28 176.21 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.67 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' B' ' 16' ' ' THR . 2.5 pt-20 -58.55 150.56 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 91.79 7.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.448 ' OG1' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p -78.24 138.02 60.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -21.24 16.21 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.38 -11.89 18.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.405 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 82.1 p -57.06 -27.9 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.537 ' HB3' HD12 ' B' ' 21' ' ' ILE . 13.8 t80 -61.43 -15.59 38.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.95 131.52 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 40' ' ' ALA . 42.8 t -105.08 119.75 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -66.74 139.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' GLU . 22.0 mt-10 -86.53 54.32 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.15 -20.55 3.37 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.1 p -78.93 139.13 38.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.464 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.68 128.94 50.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.581 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -96.03 137.79 34.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.913 HD13 HG23 ' A' ' 35' ' ' VAL . 3.5 mm -109.44 133.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -80.09 122.86 27.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -105.56 -43.25 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 17' ' ' LYS . 29.8 m-85 -114.15 161.46 17.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.45 104.27 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.75 125.68 45.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -76.68 145.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.0 147.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.613 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -114.68 -29.86 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.25 153.24 50.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.77 -33.55 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.911 ' HG2' HD11 ' A' ' 59' ' ' ILE . 1.9 tp60 -81.16 -15.8 54.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.072 . . . . 0.0 110.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' OD1' ' CH2' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -80.37 176.94 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 60' ' ' ILE . 85.5 mt -134.23 138.97 31.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.078 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 137.61 22.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 1.181 ' CE1' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -117.21 139.23 51.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 32' ' ' LYS . 20.0 t -125.89 114.3 18.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.382 1.051 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -32.14 130.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 -19.58 54.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.06 140.4 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.913 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -112.95 139.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.181 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.1 mp -129.63 165.85 20.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.731 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.0 m -112.76 134.17 54.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 38' ' ' ILE . 20.0 mm -70.12 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.496 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 94.8 t -115.84 -35.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -171.3 161.27 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.592 ' H ' HG13 ' B' ' 22' ' ' VAL . 45.4 t -96.21 170.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 48' ' ' TYR . 25.4 p -121.51 172.48 8.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' CB ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -66.27 -21.71 66.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.519 ' CB ' ' HB2' ' A' ' 47' ' ' TRP . 5.9 m-20 -92.13 160.66 35.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.592 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.94 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 24.4 m-20 -79.35 47.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.73 ' CE3' HG22 ' A' ' 59' ' ' ILE . 18.9 m95 -145.64 125.29 13.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 107.975 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.65 ' HA ' HG23 ' A' ' 42' ' ' THR . 73.9 m-85 -152.58 143.5 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -93.61 121.98 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -138.15 171.0 15.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.39 1.056 . . . . 0.0 109.359 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 1.8 pttt -119.56 157.98 27.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 36' ' ' LEU . 11.4 m120 -99.02 177.43 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -72.35 -12.24 61.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 56' ' ' ARG . 2.3 m -83.43 -8.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 3.3 62.73 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.69 148.96 48.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.297 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' C ' HD11 ' A' ' 28' ' ' LEU . 6.8 pt-20 -137.3 130.76 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 28' ' ' LEU . . . -177.34 -167.25 35.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.911 HD11 ' HG2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -103.48 149.9 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.936 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -143.12 142.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.798 ' HG3' HD12 ' B' ' 12' ' ' LEU . 18.4 Cg_endo -74.92 116.88 4.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.678 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -64.24 -11.43 31.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.56 -10.77 13.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 26.4 m-85 -126.95 -0.97 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 60' ' ' ILE . 2.3 p -143.69 145.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 150.97 46.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 109.27 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -50.61 -21.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.28 13.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 151.57 39.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.3 Cg_endo -74.88 150.56 38.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.833 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -47.71 174.34 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 150.92 39.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 4.3 pt-20 -56.01 116.86 3.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.123 . . . . 0.0 110.392 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.559 ' HG3' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -65.44 87.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.431 ' H ' HG23 ' B' ' 16' ' ' THR . 4.4 p -66.66 148.9 98.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.31 20.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 14.5 mt-10 -61.65 -13.61 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -56.93 -31.32 64.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.471 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.0 OUTLIER -56.93 -16.09 6.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.573 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.7 mp -114.62 130.54 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.592 HG13 ' H ' ' A' ' 41' ' ' VAL . 3.6 t -89.83 134.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.404 HG12 ' HE3' ' A' ' 43' ' ' LYS . 2.5 m -67.02 117.72 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -78.56 55.33 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.02 8.07 9.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 73.6 p -84.71 137.98 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 0.826 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -108.91 126.66 53.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.11 145.1 30.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.022 HD13 HG23 ' A' ' 35' ' ' VAL . 2.9 mm -112.4 132.06 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.26 127.67 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -45.19 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 33.6 m-85 -101.91 134.72 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.724 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 45.4 t30 -74.16 79.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 5.0 t80 -78.07 97.04 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -47.33 -48.48 25.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.38 151.33 5.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -116.4 -34.94 4.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 27' ' ' ASP . . . -151.47 151.95 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -63.04 -11.58 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.729 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -83.16 -21.3 33.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -78.24 -167.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB2' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.23 99.08 14.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -140.29 -176.03 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -122.72 134.55 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 108.348 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.724 ' HZ3' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -42.39 134.13 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 -16.6 58.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -75.31 143.99 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -110.67 137.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.051 HD11 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -130.67 159.84 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.515 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m -108.55 134.38 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.51 ' CG2' ' OG1' ' A' ' 12' ' ' THR . 1.9 tp -66.63 136.89 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 19.7 t -109.94 -36.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -176.98 159.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.901 HG13 ' CD1' ' A' ' 48' ' ' TYR . 14.5 t -102.78 149.05 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 48' ' ' TYR . 11.3 p -95.63 172.37 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CB ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -62.97 -33.89 76.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.698 ' OD1' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -91.82 148.11 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.577 ' C ' ' H ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 163.61 35.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 62' ' ' ALA . 5.1 t30 70.41 -39.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.861 ' CE3' HG22 ' A' ' 59' ' ' ILE . 2.0 m95 -80.27 121.57 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.901 ' CD1' HG13 ' A' ' 41' ' ' VAL . 20.7 m-85 -148.81 144.47 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 39.9 tttt -92.62 121.32 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.051 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -136.76 169.72 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 5.1 ptmt -119.52 157.33 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -97.83 178.18 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -11.4 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 3.6 m -84.59 -13.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.09 3.12 60.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 2.0 tpt180 -70.32 150.66 46.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.34 127.38 47.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -170.01 171.95 43.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.861 HG22 ' CE3' ' A' ' 47' ' ' TRP . 1.4 mp -95.99 147.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.114 HD12 HG11 ' A' ' 65' ' ' VAL . 1.7 pt -141.93 129.96 11.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.554 ' HD3' ' CH2' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.94 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 46' ' ' ASN . . . -56.2 -17.75 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 66.7 t30 -63.37 -11.29 21.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 73.5 m-85 -125.14 -4.73 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.114 HG11 HD12 ' A' ' 60' ' ' ILE . 1.5 p -145.04 146.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.15 152.64 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 114.57 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -23.52 65.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.992 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.91 42.79 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.394 1.734 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.8 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.844 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -49.06 175.47 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 156.46 43.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.57 1.826 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' THR . 0.1 OUTLIER -56.51 120.08 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.238 -179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.512 ' H ' ' NE ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -65.63 78.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.698 HG21 ' OD1' ' A' ' 44' ' ' ASP . 20.4 p -65.3 136.49 96.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.5 Cg_endo -74.86 -21.66 15.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.471 1.774 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 43' ' ' LYS . 2.0 pm0 -60.4 -11.61 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -31.8 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.641 ' HB3' HD12 ' B' ' 21' ' ' ILE . 3.9 t80 -56.84 -15.78 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 20' ' ' PHE . 4.0 mp -115.0 131.87 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -99.22 133.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 m -67.89 117.16 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.67 55.52 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.8 -4.32 6.99 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.505 ' OG1' ' CG2' ' A' ' 38' ' ' ILE . 70.1 p -78.36 137.71 38.16 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 0.731 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -112.01 125.23 53.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HB2' HG22 ' A' ' 65' ' ' VAL . 31.0 p -103.33 153.61 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.3 mp -118.6 131.77 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.845 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -79.88 138.93 37.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -128.74 -44.37 1.34 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' LYS . 2.6 m-85 -114.86 151.11 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -97.32 109.8 22.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -95.55 -48.51 5.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.8 t-80 86.86 98.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.568 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . -33.36 143.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.466 HG21 ' HD3' ' B' ' 15' ' ' ARG . 5.5 t -118.02 -33.25 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.371 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB3' ' CG ' ' A' ' 27' ' ' ASP . . . -85.71 154.59 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.82 -28.28 67.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.244 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.915 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -93.64 -13.65 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.646 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 65.5 m-20 -73.29 136.6 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' CA ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -117.59 129.05 25.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 150.33 37.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.845 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 3.3 p90 -139.93 162.48 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 143.71 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 147.57 4.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.53 -23.29 19.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.43 141.21 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.56 138.85 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' ND2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -129.47 153.06 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 m -107.84 135.79 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.677 HD13 ' HE2' ' A' ' 67' ' ' LYS . 7.3 tp -66.43 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 51' ' ' LYS . 97.7 t -113.54 -31.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.796 ' HB1' HG11 ' B' ' 22' ' ' VAL . . . -175.56 154.29 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.59 155.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -107.91 169.58 8.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -44.55 -40.22 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 152.97 42.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.659 ' O ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -74.95 -79.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' PRO . 42.8 m-20 -32.98 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CE3' HG22 ' A' ' 59' ' ' ILE . 4.6 m95 -82.43 116.25 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.969 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CZ ' ' O ' ' A' ' 45' ' ' PRO . 64.8 m-85 -133.58 145.35 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -102.03 122.09 43.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -135.52 169.83 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -121.64 157.6 30.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.373 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.592 HD21 HD11 ' A' ' 28' ' ' LEU . 2.3 m-80 -95.68 177.31 5.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.88 60.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -84.12 -14.16 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.6 1.57 58.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.09 140.54 52.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -116.99 122.21 43.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.604 ' CA ' HD23 ' A' ' 28' ' ' LEU . . . -161.01 169.09 36.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.915 HD11 ' HG2' ' A' ' 26' ' ' GLN . 1.3 mp -95.91 150.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 65' ' ' VAL . 30.7 pt -145.71 131.54 9.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 18.4 Cg_endo -75.07 120.93 6.25 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -60.33 -12.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -13.73 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.375 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 20' ' ' PHE . 39.8 m-85 -127.48 -0.77 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 62' ' ' ALA . 1.4 p -143.29 145.29 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.89 153.69 22.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HE2' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -104.81 113.84 27.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.45 -25.4 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' B' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' B' ' 8' ' ' ILE . 18.2 Cg_endo -74.98 174.25 13.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 150.47 38.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.829 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.16 174.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 156.62 43.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.62 ' HA ' HH21 ' B' ' 15' ' ' ARG . 0.6 OUTLIER -49.01 132.95 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.798 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -85.62 84.66 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.556 HG22 ' HG3' ' B' ' 14' ' ' GLU . 1.1 p -78.76 139.62 58.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 16' ' ' THR . 18.1 Cg_endo -75.06 -21.08 16.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -11.93 30.69 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.418 1.074 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -62.23 -30.04 70.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.46 ' C ' HD12 ' B' ' 21' ' ' ILE . 4.5 m-85 -57.67 -14.95 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.574 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.8 mp -115.18 130.88 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.796 HG11 ' HB1' ' A' ' 40' ' ' ALA . 57.8 t -99.52 124.15 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.449 HG22 ' H ' ' B' ' 23' ' ' VAL . 1.6 m -66.7 128.18 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' B' ' 25' ' ' GLU . 4.9 pt-20 -78.47 56.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.24 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 24' ' ' GLU . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 -115.51 0.52 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -105.53 139.33 40.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.55 120.8 38.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' HG22 ' A' ' 65' ' ' VAL . 25.6 m -99.08 137.27 37.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.972 HD13 HG23 ' A' ' 35' ' ' VAL . 10.7 mm -106.73 130.83 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -79.32 134.97 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -41.42 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 64' ' ' TYR . 89.3 m-85 -103.52 174.87 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -112.0 95.8 5.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' PRO . 19.8 t80 -92.63 109.08 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.01 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.72 151.61 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.479 HG21 HD11 ' B' ' 12' ' ' LEU . 10.2 t -121.37 -35.09 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.93 147.91 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -18.11 39.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -74.28 -23.63 59.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -176.73 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 58' ' ' GLY . 2.8 pp -134.3 128.17 19.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.35 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE2' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -142.37 164.34 30.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.583 1.177 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 50.5 m -123.03 151.58 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -50.38 147.82 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.13 -22.51 31.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 3.1 m-20 -73.33 140.68 46.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.972 HG23 HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.65 137.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 3.6 mp -130.77 156.08 45.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.708 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 m -109.05 133.1 53.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.9 mm -66.6 130.57 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 51' ' ' LYS . 54.4 t -110.03 -35.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' B' ' 22' ' ' VAL . . . -174.59 160.33 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG22 ' HD1' ' A' ' 48' ' ' TYR . 53.5 t -105.42 161.6 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' B' ' 19' ' ' SER . 18.0 p -116.07 172.06 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -10.48 59.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -93.55 154.78 41.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 46' ' ' ASN . 18.1 Cg_endo -75.03 161.62 38.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER 33.65 37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' HG2' ' B' ' 13' ' ' PRO . 18.7 m95 -131.06 117.09 18.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.53 ' HD1' HG22 ' A' ' 41' ' ' VAL . 17.1 m-85 -149.56 143.01 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 24.2 tttt -92.25 122.72 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -133.26 170.32 15.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -123.04 157.09 33.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -96.41 175.12 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -10.59 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.95 -13.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.66 3.21 57.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -70.25 143.72 52.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -123.92 122.21 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.512 ' C ' HD23 ' A' ' 28' ' ' LEU . . . -166.05 171.67 41.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 59' ' ' ILE . 2.7 mp -96.56 148.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.741 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.452 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -145.15 136.5 12.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.06 123.75 8.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.514 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -62.44 -11.95 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -9.27 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 61' ' ' PRO . 21.1 m-85 -125.91 -7.01 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG23 ' C ' ' A' ' 15' ' ' ILE . 12.1 p -137.76 146.18 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.18 159.66 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -100.44 114.84 28.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.2 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.64 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.23 13.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.66 36.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.88 ' C ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -48.93 175.58 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.652 ' HG2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 151.21 39.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.846 ' HA ' HH21 ' B' ' 15' ' ' ARG . 2.9 pm0 -54.14 147.1 13.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.215 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.849 ' CZ ' HD21 ' B' ' 12' ' ' LEU . 0.3 OUTLIER -98.15 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.492 HG22 ' HG3' ' B' ' 14' ' ' GLU . 3.4 p -68.5 147.08 98.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.83 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.72 -12.57 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.416 ' HA ' ' HB ' ' A' ' 42' ' ' THR . 2.0 t -56.51 -32.07 64.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.52 ' C ' HD12 ' B' ' 21' ' ' ILE . 1.4 m-85 -56.31 -15.81 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.611 HD12 ' N ' ' B' ' 21' ' ' ILE . 3.5 mp -115.21 130.94 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.44 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 93.1 t -98.44 126.13 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.434 ' H ' HG22 ' B' ' 23' ' ' VAL . 2.6 m -67.12 117.73 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' B' ' 25' ' ' GLU . 3.1 pt-20 -78.68 55.23 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 24' ' ' GLU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.936 . . . . . . . . 1 1 . 1 stop_ save_